Machine Learning in Chemistry about 67914-60-7

The article 《Electrochemical oxidation of 4-(piperazin-1-yl)phenols in the presence of indole derivatives: The unique regioselectivity in the synthesis of highly conjugated bisindolyl-p-quinone derivatives》 also mentions many details about this compound(67914-60-7)Application In Synthesis of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, you can pay attention to it, because details determine success or failure

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Amani, Amene; Khazalpour, Sadegh; Nematollahi, Davood researched the compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone( cas:67914-60-7 ).Application In Synthesis of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone.They published the article 《Electrochemical oxidation of 4-(piperazin-1-yl)phenols in the presence of indole derivatives: The unique regioselectivity in the synthesis of highly conjugated bisindolyl-p-quinone derivatives》 about this compound( cas:67914-60-7 ) in Journal of Electroanalytical Chemistry. Keywords: electrooxidation piperazinylphenol indole derivative regioselectivity electrosynthesis conjugated bisindolyl quinone. We’ll tell you more about this compound (cas:67914-60-7).

The electrochem. oxidation of 4-(piperazin-1-yl)phenols were studied in the presence of indole derivatives as nucleophiles in H2O/MeCN mixture by cyclic voltammetry and controlled-potential coulometry. The reaction mechanism is believed to be oxidation of 4-(piperazin-1-yl)phenols, Michael addition reaction, oxidation of the formed adduct, another Michael addition reaction, oxidation of new adduct and hydrolysis (ECECEC). Bisindolyl-p-quinones were synthesized through the regioselective addition of indoles to electrochem. generated quinone imines in good yields at C electrode in a divided cell.

The article 《Electrochemical oxidation of 4-(piperazin-1-yl)phenols in the presence of indole derivatives: The unique regioselectivity in the synthesis of highly conjugated bisindolyl-p-quinone derivatives》 also mentions many details about this compound(67914-60-7)Application In Synthesis of 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, you can pay attention to it, because details determine success or failure

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

Some scientific research about 288-42-6

The article 《Towards NIR-Active Hydroxybenzazole (HBX)-Based ESIPT Motifs: A Recent Research Trend》 also mentions many details about this compound(288-42-6)Recommanded Product: Oxazole, you can pay attention to it, because details determine success or failure

Recommanded Product: Oxazole. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: Oxazole, is researched, Molecular C3H3NO, CAS is 288-42-6, about Towards NIR-Active Hydroxybenzazole (HBX)-Based ESIPT Motifs: A Recent Research Trend. Author is Mishra, Virendra R.; Ghanavatkar, Chaitannya W.; Sekar, Nagaiyan.

A review. In this review, we have explored the synthetic strategies adopted for designing the hydroxybenzazoles (imidazole, oxazole, and thiazole) i. e. HBX derivatives which show emission in red and NIR region. Further, we have examined the effect of different substituents i. e. either directly attached or with extended conjugation on a phenolic ring/Ph ring of heterocycles to achieve a red to NIR shift in emission. Finally, we have investigated the applications and computational methodologies adopted for red to NIR emitting dyes. In the future, this review will help to design, synthesized and examine the applications of new derivatives of HBX which will show emission in red to NIR region.

The article 《Towards NIR-Active Hydroxybenzazole (HBX)-Based ESIPT Motifs: A Recent Research Trend》 also mentions many details about this compound(288-42-6)Recommanded Product: Oxazole, you can pay attention to it, because details determine success or failure

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

Discovery of 5451-40-1

The article 《Synthesis and anticancer activity of N-9- and N-7- substituted 1,2,3 triazole analogues of 2,6-di-substituted purine》 also mentions many details about this compound(5451-40-1)Safety of 2,6-Dichloropurine, you can pay attention to it, because details determine success or failure

Safety of 2,6-Dichloropurine. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Synthesis and anticancer activity of N-9- and N-7- substituted 1,2,3 triazole analogues of 2,6-di-substituted purine.

A library of N-9- and N-7-substituted 1,2,3 triazole analogs I [R1 = 2-hydroxyethylamino, benzylamino; R2 = pyrrolidin-1-yl, 1-piperidyl; R3 = H, 4-F, 2-Cl, etc.] and II [R4 = benzylamino; R5 = pyrrolidin-1-yl, 1-piperidyl; R6 = 4-MeO, 4-Br, 4-I] were generated on the 2,6-di-substituted purine upon reaction with various substituted aromatic azides. The synthesized analogs I and II were screened for in-vitro cytotoxic activity against various human cancer cell lines like (HCT-1 (colon), THP-1 (leukemia), IMR-32 (neuroblastoma) and A-549 (lung)). From the bioassay results, it was observed that even though most of the synthesized derivatives I and II exhibited a good potency against various screened cancer cell lines, but few of the analogs like I [R1 = benzylamino; R2 = pyrrolidin-1-yl, 1-piperidyl; R3 = H] and compound I [R1 = benzylamino; R2 = pyrrolidin-1-yl, R3 = 4-Cl] were found to be the most potent analogs in the series, with compound I [R1 = benzylamino, R2 = pyrrolidin-1-yl, R3 = H] showing IC50 values of 0.08 and 0.4 μM against THP-1 and A-549 cell lines, resp.

The article 《Synthesis and anticancer activity of N-9- and N-7- substituted 1,2,3 triazole analogues of 2,6-di-substituted purine》 also mentions many details about this compound(5451-40-1)Safety of 2,6-Dichloropurine, you can pay attention to it, because details determine success or failure

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

Discover the magic of the 1194-22-5

The article 《Solution-Phase Synthesis of a Library of 3,5,7-Trisubstituted 3H-[1,2,3]triazolo[4,5-d]pyrimidines》 also mentions many details about this compound(1194-22-5)SDS of cas: 1194-22-5, you can pay attention to it, because details determine success or failure

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Solution-Phase Synthesis of a Library of 3,5,7-Trisubstituted 3H-[1,2,3]triazolo[4,5-d]pyrimidines, published in 2003-10-31, which mentions a compound: 1194-22-5, Name is 6-Hydroxy-2-methylpyrimidin-4(3H)-one, Molecular C5H6N2O2, SDS of cas: 1194-22-5.

An efficient solution-phase parallel synthesis of a library of 3,5,7-trisubstituted [1,2,3]triazolo[4,5-d]pyrimidines I [R1 = H, Me; R2 = Ph, PhCH2, 4-ClC6H4, 4-MeC6H4, 4-MeOC6H4; R3 = H, R4 = HOCH2CH2, cyclohexyl, Ph, PhCH2, PhNH, PhCH2O, etc.; R3R4 = (CH2)2N(CO2CMe3)(CH2)2] is described. 5-Amino-4,6-dichloropyrimidines II, prepared from monosubstituted amidines in four steps, reacted with primary amines R2NH2 to yield, after the following diazotization/intramol. cyclization, the 7-chloro-3,5-disubstituted [1,2,3]triazolo[4,5-d]pyrimidines III as penultimate intermediates. Final nucleophilic substitution of the 7-chloro group in III with an excess of a primary or secondary amine, a hydrazine or a O-alkyl hydroxylamine proceeds efficiently. Scavenging of the excess amine with a resin-bound isocyanate in the presence of resin-bound piperidine as a base afforded the desired 3,5,7-trisubstituted [1,2,3]triazolo[4,5-d]pyrimidines I in good yields and purities.

The article 《Solution-Phase Synthesis of a Library of 3,5,7-Trisubstituted 3H-[1,2,3]triazolo[4,5-d]pyrimidines》 also mentions many details about this compound(1194-22-5)SDS of cas: 1194-22-5, you can pay attention to it, because details determine success or failure

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

Now Is The Time For You To Know The Truth About 67914-60-7

The article 《Synthesis of ketoconazole by phase-transfer catalysis》 also mentions many details about this compound(67914-60-7)SDS of cas: 67914-60-7, you can pay attention to it, because details determine success or failure

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 67914-60-7, is researched, Molecular C12H16N2O2, about Synthesis of ketoconazole by phase-transfer catalysis, the main research direction is ketoconazole synthesis antifungal drug bromomethyldichlorophenyl dioxolanylmethanol.SDS of cas: 67914-60-7.

Antifungal drug ketoconazole was synthesized by utilization of phase-transfer catalysis from [2-bromomethyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol via acylation, N-alkylation with imidazole and hydrolysis, formation the active ester with methanesulfonyl chloride, and then condensation with the side chain 1-acetyl-4-(4-hydroxyphenyl)piperazine. The overall yield was about 30%.

The article 《Synthesis of ketoconazole by phase-transfer catalysis》 also mentions many details about this compound(67914-60-7)SDS of cas: 67914-60-7, you can pay attention to it, because details determine success or failure

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

Get Up to Speed Quickly on Emerging Topics: 67914-60-7

Although many compounds look similar to this compound(67914-60-7)SDS of cas: 67914-60-7, numerous studies have shown that this compound(SMILES:CC(N1CCN(C2=CC=C(O)C=C2)CC1)=O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

SDS of cas: 67914-60-7. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone, is researched, Molecular C12H16N2O2, CAS is 67914-60-7, about Investigation on 1-Acetyl-4-(4-hydroxyphenyl) piperazine an anti-fungal drug by spectroscopic, quantum chemical computations and molecular docking studies.

The title compound, 1-acetyl-4-(4-hydroxyphenyl)piperazine (1A4HP) has been examined by FT-Raman, FT-IR, 1HNMR, 13CNMR and UV-Visible spectra range. By using the d. functional theory (DFT) by the method B3LYP and basis set 6-311++G(d,p) the optimized figure of 1A4HP, the vibrational modes, the IR penetration intensities and the working of Raman scattering were estimated The optimized mol. figure obtained by the DFT method and its bond length and bond angle computed values are same as the XRD exptl. values. AIM topol. anal. was done on the mol. The HOMO and LUMO energy results show that good exchange of charge happened inside the mol. NBO method was applied to study donor-acceptor interactions. 1H and 13C chem. shift of NMR were estimated using the type gauge-independent AO (GIAO) and the results are related to the exptl. values. The hyperpolarizability computation shows the 1A4HP has very good NLO property. The anal. of Fukui function and Mol. electrostatic potential (MEP) studies were done. The essential thermodn. characters (entropy, enthalpy and heat capacity) of the 1A4HP estimated at various temperatures The best ligand-protein interactions are done by mol. docking with the various antifungal proteins and the ligand 1A4HP.

Although many compounds look similar to this compound(67914-60-7)SDS of cas: 67914-60-7, numerous studies have shown that this compound(SMILES:CC(N1CCN(C2=CC=C(O)C=C2)CC1)=O), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

Fun Route: New Discovery of 5451-40-1

Although many compounds look similar to this compound(5451-40-1)Synthetic Route of C5H2Cl2N4, numerous studies have shown that this compound(SMILES:C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Visible-light-promoted 3,5-dimethoxyphenyl glycoside activation and glycosylation》. Authors are Cao, Yafei; Zhou, Minmin; Mao, Run-Ze; Zou, You; Xia, Feng; Liu, Da-Ke; Liu, Jianhui; Li, Qin; Xiong, De-Cai; Ye, Xin-Shan.The article about the compound:2,6-Dichloropurinecas:5451-40-1,SMILESS:C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2).Synthetic Route of C5H2Cl2N4. Through the article, more information about this compound (cas:5451-40-1) is conveyed.

A new glycosylation method promoted by visible light with 3,5-dimethoxyphenyl glycoside as the donor was developed. This protocol delivers both O-glycosides and N-glycosides in moderate to excellent yields using a wide range of O-nucleophiles and nucleobases as the glycosyl acceptors.

Although many compounds look similar to this compound(5451-40-1)Synthetic Route of C5H2Cl2N4, numerous studies have shown that this compound(SMILES:C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

Interesting scientific research on 7789-45-9

Although many compounds look similar to this compound(7789-45-9)Category: oxazolidine, numerous studies have shown that this compound(SMILES:[Cu+2].[Br-].[Br-]), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Chemical Communications (Cambridge, United Kingdom) called Thermally-induced hyperbranching of bromine-containing polyesters by insertion of in situ generated chain-end carbenes, Author is Bexis, Panagiotis; Arno, Maria C.; Bell, Craig A.; Thomas, Anthony W.; Dove, Andrew P., which mentions a compound: 7789-45-9, SMILESS is [Cu+2].[Br-].[Br-], Molecular Br2Cu, Category: oxazolidine.

Hyperbranched, biodegradable PCL-based polymers are obtained through a random but invasive migration of an in situ generated carbene end group which is unmasked via the thermolysis of its precursor diazirine moiety. These hyperbranched cores are used as macroinitiators for ‘grafting-from’ polymerization using controlled radical polymerization to achieve amphiphilic copolymers which can subsequently be self-assembled into spherical core-shell micelles.

Although many compounds look similar to this compound(7789-45-9)Category: oxazolidine, numerous studies have shown that this compound(SMILES:[Cu+2].[Br-].[Br-]), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

A small discovery about 5451-40-1

Although many compounds look similar to this compound(5451-40-1)Electric Literature of C5H2Cl2N4, numerous studies have shown that this compound(SMILES:C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Electric Literature of C5H2Cl2N4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2,6-Dichloropurine, is researched, Molecular C5H2Cl2N4, CAS is 5451-40-1, about Scaffold hopping of the SYK inhibitor entospletinib leads to broader targeting of the BCR signalosome. Author is Jorda, Radek; Krajcovicova, Sona; Kralova, Petra; Soural, Miroslav; Krystof, Vladimir.

Spleen tyrosine kinase (SYK) and Bruton’s tyrosine kinase (BTK) are attractive targets in human haematol. malignancies with excessively activated B-cell receptor (BCR) signalling pathways. Entospletinib is a SYK inhibitor that has been evaluated as a clin. candidate. Design and synthesis of five isosteres in which the imidazo[1,2-a]pyrazine scaffold of entospletinib was altered to pyrazolo[3,4-d]pyrimidine, pyrrolo[3,2-d]pyrimidine, imidazo[4,5-b]pyridine, imidazo[4,5-c]pyridine and purine is reported. The last two isosteres were the most potent SYK inhibitors, with IC50 values in the mid-nanomolar range. Importantly, three compounds also inhibited BTK more effectively than did entospletinib. Further experiments then showed that BCR signalling was suppressed in Ramos cells by the potent compounds Preliminary kinase inhibition screening also revealed LCK and SRC as addnl. targets. These results further support the hypothesis that multikinase targeting compounds could produce more robust responses in the treatment of B lymphoid neoplasms.

Although many compounds look similar to this compound(5451-40-1)Electric Literature of C5H2Cl2N4, numerous studies have shown that this compound(SMILES:C2=NC1=C(C(=NC(=N1)Cl)Cl)[NH]2), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

 

The influence of catalyst in reaction 70-23-5

After consulting a lot of data, we found that this compound(70-23-5)Computed Properties of C5H7BrO3 can be used in many types of reactions. And in most cases, this compound has more advantages.

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Ethyl 3-bromo-2-oxopropanoate(SMILESS: O=C(OCC)C(CBr)=O,cas:70-23-5) is researched.Electric Literature of C5H2Cl2N4. The article 《Design, Synthesis, and Evaluation of the Antifungal Activity of Novel Pyrazole-Thiazole Carboxamides as Succinate Dehydrogenase Inhibitors》 in relation to this compound, is published in Journal of Agricultural and Food Chemistry. Let’s take a look at the latest research on this compound (cas:70-23-5).

Succinate dehydrogenase (SDH) is regarded as a promising target for fungicide discovery. To continue our ongoing studies on the discovery of novel SDH inhibitors as fungicides, novel pyrazole-thiazole carboxamides were designed, synthesized, and evaluated for their antifungal activity. The results indicated that compounds 9ac, 9bf, and 9cb showed excellent in vitro activities against Rhizoctonia cerealis with EC50 values from 1.1 to 4.9 mg/L, superior to that of the com. fungicide thifluzamide (EC50 = 23.1 mg/L). Compound 9cd (EC50 = 0.8 mg/L) was far more active than thifluzamide (EC50 = 4.9 mg/L) against Sclerotinia sclerotiorum. Compound 9ac exhibited promising in vivo activity against Rhizoctonia solani (90% at 10 mg/L), which was better than that of thifluzamide (80% at 10 mg/L). The field experiment showed that compound 9ac had 74.4% efficacy against Rhizoctonia solani on the 15th day after two consecutive sprayings at an application rate of 4.80 g a.i./667 m2, which was close to that of thifluzamide (83.3%). Furthermore, mol. docking explained the possible binding mode of compound 9ac in the RcSDH active site. Our studies indicated that the pyrazole-thiazole carboxamide hybrid is a new scaffold of SDH inhibitors.

After consulting a lot of data, we found that this compound(70-23-5)Computed Properties of C5H7BrO3 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem