Tag: 100-200

Safety of 3-(Pyrimidin-5-yl)benzaldehydeOn October 15, 2013 ,《The synthesis and SAR study of phenylalanine-derived (Z)-5-arylmethylidene rhodanines as anti-methicillin-resistant Staphylococcus aureus (MRSA) compounds》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Patel, Bhargav A.; Ashby, Charles R.; Hardej, Diane; Talele, Tanaji T.. The article contains the following contents:

A focused library of rhodanine compounds containing novel substituents at the C5-position was synthesized and tested in vitro against a panel of clin. relevant MRSA strains. The present SAR study was based on our lead compound I (Ar = 3-phenoxyphenyl) (MIC = 1.95 μg/mL), with a focus on identifying optimal C5-arylidene substituents. In order to obtain this objective, we condensed several unique aromatic aldehydes with phenylalanine-derived rhodanine intermediates to obtain C5-substituted target rhodanine compounds for evaluation as anti-MRSA compounds These efforts produced three compounds with significant efficacy: I [Ar = 3-(3,4-dichloro)phenoxyphenyl, 3-biphenyl] and II with MIC values ranging from 0.98 to 1.95 μg/mL against all tested MRSA strains as compared to the reference antibiotics penicillin G (MIC = 15.60-250.0 μg/mL) and ciprofloxacin (MIC = 7.80-62.50 μg/mL) and comparable to that of vancomycin (MIC = 0.48 μg/mL). In addition, several other compounds (MIC = 1.95-3.90 μg/mL) were efficacious against all MRSA strains. The majority of the synthesized compounds had bactericidal activity at concentrations only two to fourfold higher than their MIC. Overall, the results suggest that compounds I [Ar = 3-(3,4-dichloro)phenoxyphenyl, 3-biphenyl] and II may be of potential use in the treatment of MRSA infections. The experimental part of the paper was very detailed, including the reaction process of 3-(Pyrimidin-5-yl)benzaldehyde(cas: 640769-70-6Safety of 3-(Pyrimidin-5-yl)benzaldehyde)

3-(Pyrimidin-5-yl)benzaldehyde(cas: 640769-70-6) belongs to pyrimidine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own. Safety of 3-(Pyrimidin-5-yl)benzaldehydeThey have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow》 was written by Nyuchev, Alexander V.; Wan, Ting; Cendon, Borja; Sambiagio, Carlo; Struijs, Job J. C.; Ho, Michelle; Gulias, Moises; Wang, Ying; Noe, Timothy. Computed Properties of C4HCl3N2This research focused ontrifluoromethoxy arene preparation; arene benzotriazolium trifluoromethanesulfonate photocatalytic trifluoromethoxylation; C–H functionalization; continuous-flow; organic synthesis; photoredox catalysis; trifluoromethoxylation. The article conveys some information:

The first example of photocatalytic trifluoromethoxylation of arenes and heteroarenes, e.g., I under continuous-flow conditions is described. Application of continuous-flow microreactor technol. allowed to reduce the residence time up to 16 times in comparison to the batch procedure, while achieving similar or higher yields. In addition, the use of inorganic bases was demonstrated to increase the reaction yield under batch conditions. The experimental part of the paper was very detailed, including the reaction process of 2,4,6-Trichloropyrimidine(cas: 3764-01-0Computed Properties of C4HCl3N2)

2,4,6-Trichloropyrimidine(cas: 3764-01-0) is a member of organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. They are generally not present in crude oils and are typically the result of additives, cleaning solutions or chemicals used for oil recovery.Computed Properties of C4HCl3N2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《A Convenient Late-Stage Fluorination of Pyridylic C-H Bonds with N-Fluorobenzenesulfonimide》 was published in Angewandte Chemie, International Edition in 2016. These research results belong to Meanwell, Michael; Nodwell, Matthew B.; Martin, Rainer E.; Britton, Robert. Synthetic Route of C6H7BrN2 The article mentions the following:

Pyridine features prominently in pharmaceuticals and drug leads, and methods to selectively manipulate pyridine basicity or metabolic stability are highly sought after. A robust, metal-free direct fluorination of unactivated pyridylic C-H bonds was developed. This convenient reaction shows high functional-group tolerance and offers complimentary selectivity to existing C-H fluorination strategies. Importantly, this late-stage pyridylic C-H fluorination provides opportunities to rationally modulate the basicity, lipophilicity, and metabolic stability of alkylpyridine drugs. Thus, e.g., mixing 4-ethylpyridine with NFSI in MeCN afforded 4-(1-fluoroethyl)pyridine (87%). The results came from multiple reactions, including the reaction of 5-Bromo-4-ethylpyrimidine(cas: 951884-36-9Synthetic Route of C6H7BrN2)

5-Bromo-4-ethylpyrimidine(cas: 951884-36-9) is a member of pyrimidine. Pyrimidine derivatives are an important class of N-heterocycles. They are well-known for their wide spectrum of promising biological activities such as antitumors, bactericidals, and fungicidal.Synthetic Route of C6H7BrN2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2015,Sythana, Suresh Kumar; Bhagat, Pundlik R. published 《Metal free C-O bond formation in electron deficient aromatic compounds mediated by tetrabutylammonium hydroxide : application to nimesulide and paracetamol》.Journal of the Indian Chemical Society published the findings.Category: pyrimidines The information in the text is summarized as follows:

A mild and efficient method for carbon-oxygen bond formation for the synthesis of aryl ethers has been demonstrated via reaction of aromatic chloro compounds and alcs. mediated by tetrabutylammonium hydroxide (TBAH). The protocol is free from the metal alkoxides, inorganic bases or metal catalysts. This methodol. has been applied for synthesis of paracetamol and nimesulide intermediates. After reading the article, we found that the author used 2,4,6-Trichloropyrimidine(cas: 3764-01-0Category: pyrimidines)

2,4,6-Trichloropyrimidine(cas: 3764-01-0) is a member of organic chlorides. Organic chloride content in crude oil can be detected through specialized laboratory analysis. Care and attention are essential while sampling and testing.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Remennikov, G. Ya.; Kurilenko, L. K.; Boldyrev, I. V.; Cherkasov, V. M. published their research in Khimiya Geterotsiklicheskikh Soedinenii on December 31 ,1987. The article was titled 《Sigma complexes in the pyrimidine series. 8. Recyclization of acetonyl anionic σ-complexes of 5-nitropyrimidine and its derivatives》.SDS of cas: 14001-69-5 The article contains the following contents:

Recyclization of title anions I (R = H, MeO, Et2N; R1 = H; cation not specified) with base, e.g., Et4NOH, gave 19-75% 4-O2NC6H4OH. A bicyclic mechanism was proposed. I (R = H, R1 = OMe) and 2-acetonyl analog II did not recyclize under these conditions. Treating methoxynitropyrimidine III (R = MeO, R2 = H) with Et2NH in refluxing MeOH gave 98% III (R = Et2N, R2 = H) (IV), which gave 68.5% I (R = Et2N, R1 = H) (V) with KOH in Me2CO. Oxidation of V with DDQ in Me2CO gave 43% III (R = Et2N, R2 = CH2COMe) (VI) and 28% IV. Deacylation of acetylacetonylidene analog VII with Et2NH in MeOH gave 74.5% VI and 5% III (R = Et2N, R2 = Me).2-Methoxy-5-nitropyrimidine(cas: 14001-69-5SDS of cas: 14001-69-5) was used in this study.

2-Methoxy-5-nitropyrimidine(cas: 14001-69-5) is a member of ether. Friedel Crafts reaction, for example, adds an alkyl or acyl group to aromatic ethers when they react with an alkyl or acyl halide in the presence of a Lewis acid as a catalyst.SDS of cas: 14001-69-5

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthetic Route of C5H5N3O3On October 31, 1983 ,《Sigma complexes in the pyrimidine series. 6. Reaction of 5-nitro-2-methoxy- and 5-nitro-4,6-dimethoxypyrimidines with acetylacetone carbanion》 appeared in Khimiya Geterotsiklicheskikh Soedinenii. The author of the article were Remennikov, G. Ya.; Kiselenko, A. A.; Cherkasov, V. M.. The article conveys some information:

Methoxynitropyrimidine I reacted with acetylacetone carbanion to form salt II or acetophenone III, depending on the reaction conditions. Dimethoxynitropyrimidine IV (R = MeO) was not converted to salt V by this reaction; V could be obtained from IV [R = (MeCO)2CH]. The conversion of acetonylpyrimidine VI to salt VII was also described. The results came from multiple reactions, including the reaction of 2-Methoxy-5-nitropyrimidine(cas: 14001-69-5Synthetic Route of C5H5N3O3)

2-Methoxy-5-nitropyrimidine(cas: 14001-69-5) is a member of ether. When aromatic ethers are exposed to halogen in the presence or absence of a catalyst, they undergo halogenation, such as bromination.Synthetic Route of C5H5N3O3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Category: pyrimidinesIn 2021 ,《Novel pyrimidine derivatives as potential anticancer agents: synthesis, biological evaluation and molecular docking study》 appeared in International Journal of Molecular Sciences. The author of the article were Tylinska, Beata; Wiatrak, Benita; Czyznikowska, Zaneta; Ciesla-Niechwiadowicz, Aneta; Gebarowska, Elzbieta; Janicka-Klos, Anna. The article conveys some information:

In the present paper, new pyrimidine derivatives were designed, synthesized and analyzed in terms of their anticancer properties. The tested compounds were evaluated in vitro for their antitumor activity. The cytotoxic effect on normal human dermal fibroblasts (NHDF) was also determined According to the results, all the tested compounds exhibited inhibitory activity on the proliferation of all lines of cancer cells (colon adenocarcinoma (LoVo), resistant colon adenocarcinoma (LoVo/DX), breast cancer (MCF-7), lung cancer (A549), cervical cancer (HeLa), human leukemic lymphoblasts (CCRF-CEM) and human monocytic (THP-1)). In particular, their feature stronger influence on the activity of P-glycoprotein of cell cultures resistant to doxorubicin than doxorubicin. Tested compounds have more lipophilic character than doxorubicin, which determines their affinity for the mol. target and passive transport through biol. membranes. Moreover, the inhibitory potential against topoisomerase II and DNA intercalating properties of synthesized compounds were analyzed via mol. docking. The experimental part of the paper was very detailed, including the reaction process of 4,6-Dichloropyrimidine(cas: 1193-21-1Category: pyrimidines)

4,6-Dichloropyrimidine(cas: 1193-21-1) is a member of organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. They are generally not present in crude oils and are typically the result of additives, cleaning solutions or chemicals used for oil recovery.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

《A Predictive Model Towards Site-Selective Metalations of Functionalized Heterocycles, Arenes, Olefins, and Alkanes using TMPZnCl·LiCl》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Balkenhohl, Moritz; Jangra, Harish; Makarov, Ilya S.; Yang, Shu-Mei; Zipse, Hendrik; Knochel, Paul. Category: pyrimidines The article mentions the following:

The development of a predictive model towards site-selective deprotometalation reactions using TMPZnCl·LiCl is reported (TMP = 2,2,6,6-tetramethylpiperidinyl). The pKa values of functionalized N-, S-, and O-heterocycles, arenes, alkenes, or alkanes were calculated and compared to the exptl. deprotonation sites. Large overlap (>80%) between the calculated and empirical deprotonation sites was observed, showing that thermodn. factors strongly govern the metalation regioselectivity. In the case of olefins, calculated frozen state energies of the deprotonated substrates allowed a more accurate prediction. Addnl., various new N-heterocycles were analyzed and the metalation regioselectivities rationalized using the predictive model. After reading the article, we found that the author used 2,4,6-Trichloropyrimidine(cas: 3764-01-0Category: pyrimidines)

2,4,6-Trichloropyrimidine(cas: 3764-01-0) is a member of organic chlorides. Almost all organochlorine compounds are synthesized. It is widely used as intermediates, solvents and pesticides of chemical synthetic products.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In 2022,Chen, Chia-Hsun; Lin, Shih-Chun; Lin, Bo-Yen; Li, Che-Yu; Kong, Yu-Cheng; Chen, Yi-Sheng; Fang, Shao-Cheng; Chiu, Ching-Huang; Lee, Jiun-Haw; Wong, Ken-Tsung; Lin, Chi-Feng; Hung, Wen-Yi; Chiu, Tien-Lung published an article in Chemical Engineering Journal (Amsterdam, Netherlands). The title of the article was 《New bipolar host materials for high power efficiency green thermally activated delayed fluorescence OLEDs》.SDS of cas: 3764-01-0 The author mentioned the following in the article:

Four bipolar mols., namely I, II, III, and IV, with carbazole (Cz) donor and a benzonitrile-substituted pyrimidine (Pym) or triazine (Trz) acceptor core were synthesized and characterized. The electron deficiency of heteroaryl cores together with the substitution pattern of benzonitrile were employed to tune the energy levels as well as the thermally activated delayed fluorescence (TADF) characteristics. The four mols. exhibited TADF behavior with inferior photoluminescent quantum yields (PLQYs) that limit their applications as emitters. These bipolar mols. were employed as TADF host materials for the benchmark TADF emitter 4CzIPN to achieve high-performing green TADF organic light-emitting diodes (OLEDs). Among the mols., I-hosted TADF-OLEDs achieved a maximum external quantum efficiency (EQEmax) of 31.5%, maximum power efficiency (PEmax) of 95.6 lm/W, and maximum current efficiency (CEmax) of 100.2 cd/A. Notably, II-hosted TADF-OLEDs also achieved a PEmax of 116.5 lm/W, turn-on voltage of 2.5 V, and impressive low efficiency roll-off performance (>89% of EQEmax at 5000 cd/m2), representing one of the highest efficiencies ever reported in 4CzIPN-doped devices. The high device efficiency can be ascribed to the balanced ambipolar carrier-transporting character of the host materials and high PLQY as well as the outstanding light outcoupling efficiency of the emitting layer.2,4,6-Trichloropyrimidine(cas: 3764-01-0SDS of cas: 3764-01-0) was used in this study.

2,4,6-Trichloropyrimidine(cas: 3764-01-0) is a member of organic chlorides. Almost all organochlorine compounds are synthesized. It is widely used as intermediates, solvents and pesticides of chemical synthetic products.SDS of cas: 3764-01-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Related Products of 90213-66-4In 2017 ,《A convenient and simple synthesis of N-arylpirrolopyrimidines using boronic acids and promoted by copper (II) acetate》 appeared in ARKIVOC (Gainesville, FL, United States). The author of the article were Espinosa-Bustos, Christian; Villegas, Alondra; Salas, Cristian O.. The article conveys some information:

A convenient and simple synthesis of novel N-aryl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidines I [Ar = 4-HOC6H4, 4-NCC6H4, 2-naphthyl, etc.] via copper (II) acetate catalyzed N-arylation of 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine using arylboronic acids was described. The yields obtained for all derivatives were in the range of 45-70% and this synthetic approach was extensible to other heterocycles such as 1H-indazoles. In the experimental materials used by the author, we found 2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4Related Products of 90213-66-4)

2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine(cas: 90213-66-4) belongs to pyrimidine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own. Related Products of 90213-66-4They have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia