Category: 612-13-5

Zhang, Chun-Bo published the artcileDesign and synthesis of 6-alkyloxy[1,2,4]triazolo[1,5-a]quinazoline derivatives with anticonvulsant activity, Synthetic Route of 612-13-5, the publication is Medicinal Chemistry Research (2012), 21(10), 3294-3300, database is CAplus.

6-(Benzyloxy or alkoxy)[1,2,4]triazolo[1,5-a]quinazoline derivatives were synthesized in four steps starting from 1,3-cyclohexanedione, DMF-DMA, and aminotriazole followed by bromination, dehydrobromination and finally reaction with benzyl or alkyl halides. The anticonvulsant activity of all the target compounds, characterized by IR, ¹H-NMR and MS, were evaluated using Maximal electroshock test. The pharmacol. results showed that some of the compounds displayed pos. anticonvulsant activity. Among them, 6-(benzyloxy)-[1,2,4]triazolo[1,5-a]quinazoline was the most active compound with an ED₅₀ value of 78.9 mg/kg and a PI value of 9.0.

Medicinal Chemistry Research published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C22H18Cl2N2, Synthetic Route of 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Chu, Xue-Qiang published the artcileTBAI-Catalyzed/Water-Assisted Double C-S Bond Formations: An Efficient Approach to Sulfides through Metal-Free Three-Component Reactions, Recommanded Product: 2-(Chloromethyl)benzonitrile, the publication is Chemistry – A European Journal (2016), 22(40), 14181-14185, database is CAplus and MEDLINE.

An aqueous catalytic method for double C-S bond formations that involves alc. derivatives, organic halides, and sodium thiosulfate was developed. A diverse range of functionalized sulfides, including pharmaceutical and biol. derivatives, can be obtained in an efficient and eco-friendly manner under air. The mechanistic studies revealed that this tetrabutylammonium-iodide-catalyzed/water-assisted reaction generated a mercaptan species as the key intermediate.

Chemistry – A European Journal published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Recommanded Product: 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Lei, Zhen-lin published the artcileSynthesis with solvent-free and antifungal activities of 6-ether coumarin derivatives, Application In Synthesis of 612-13-5, the publication is Nongyao (2015), 54(10), 724-726, 743, database is CAplus.

2-Methyl-4-benzenediol was reacted with Et acetoacetate via Pechmann condensation to yield 6-hydroxy-4,7-dimethyl-coumarin, then the coumarin grinded with substituted benzyl chloride without solvent to yield twelve title compounds 4a-4l. The structure of the compounds were confirmed by ¹H NMR and LC-MS. The preliminary bioassay indicated some compounds, such as 4b, 4c and 4e, displayed over 90% antifungal activities against Botryodiplodia theobromae at 100 mg/L.

Nongyao published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Application In Synthesis of 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Wang, Ming-Zhong published the artcileDesign, synthesis and antifungal activities of novel pyrrole alkaloid analogs, Application of 2-(Chloromethyl)benzonitrile, the publication is European Journal of Medicinal Chemistry (2011), 46(5), 1463-1472, database is CAplus and MEDLINE.

A series of novel analogs of pyrrole alkaloids were designed and synthesized by a facile method and their structures were characterized by ¹H NMR, ¹³C NMR and high-resolution mass spectrometry (HRMS). The structure of compound I was identified by 2D NMR including heteronuclear multiple-quantum coherence (HMQC), heteronuclear multiple-bond correlation (HMBC) and H-H correlation spectrometry (H-H COSY) spectra. Their antifungal activities against five fungi were evaluated, and the results indicated that some of the title compounds showed moderate fungicidal activities in vitro against Alternaria solani, Cercospora arachidicola, Fusarium omysporum, Gibberella zeae and Physalospora piricola at the dosage of 50 μg mL^-1. Compound I and its dibromo derivative exhibited good activities against P. piricola at low dosage.

European Journal of Medicinal Chemistry published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C23H28N2O4, Application of 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Lan, Feng published the artcileSyntheses and herbicidal activities of novel 1,2,4-triazolinone derivatives, Formula: C8H6ClN, the publication is Gaodeng Xuexiao Huaxue Xuebao (2009), 30(4), 712-715, database is CAplus.

Environmentally benign triazolinone herbicides have a broad application perspective. Several triazolinone compounds such as amicarbazone, sulfentrazone [i.e., N-[2,4-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]phenyl]methanesulfonamide], azafenidin [i.e., 2-[2,4-dichloro-5-(2-propyn-1-yloxy)phenyl]-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one] and carfentrazone-Et [i.e., α,2-dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid Et ester] have already been developed as herbicides. In order to search for novel 1,2,4-triazolinone derivatives with high herbicidal activity, 2-(2,4,5-trichlorophenyl)-4-(benzyl)-5-methyl-3H-1,2,4-triazol-3-one derivatives and 2,4-bis(benzyl)-1,2,4-triazol-3-one derivatives were designed and synthesized. Their structures were determined by NMR, MS, elemental anal. The results of preliminary biol. activity tests show that some compounds display excellent herbicidal activity and some display good activity toward promoting cucumber cotyledon root-formation at 1.5 kg/ha.

Gaodeng Xuexiao Huaxue Xuebao published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Formula: C8H6ClN.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Zhan, Peng published the artcileSynthesis and anti-HIV activity of novel 2,4-disubstituted-7-methyl-1,1,3-trioxo-2H,4H-pyrazolo[4,5-e][1,2,4]thiadiazine derivatives, Name: 2-(Chloromethyl)benzonitrile, the publication is Drug Discoveries & Therapeutics (2011), 5(6), 279-285, database is CAplus and MEDLINE.

Sixteen 2,4-dibenzyl-substituted 7-methyl-1,1,3-trioxo-2H,4H-pyrazolo[4,5-e][1,2,4]thiadiazines (PTDs) were prepared by a facile 1-pot reaction starting from 7-methyl-pyrazolo[4,5-e][1,2,4]thiadiazine and two different benzyl halides. The structures of all synthesized compounds were confirmed by ¹H- and ¹³C-NMR, IR spectra (IR) and mass spectra (MS). Anti-HIV activity was evaluated and none of the compounds inhibit HIV replication in human T-lymphocyte (MT-4) cell culture.

Drug Discoveries & Therapeutics published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C9H9ClN2, Name: 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Liu, Xin-yong published the artcileSynthesis and anti-HIV activity evaluation of novel 2,4-disubstituted 7-methyl-1,1,3-trioxo-2,4-dihydro-pyrazolo-[4,5-e][1,2]thiadiazines, HPLC of Formula: 612-13-5, the publication is Archiv der Pharmazie (Weinheim, Germany) (2008), 341(4), 216-222, database is CAplus and MEDLINE.

A series of novel 2,4-disubstituted 7-methyl-1,1,3-trioxo-2,4-dihydro-pyrazolo[4,5-e] [1,2,4]thiadiazines (PTDs) was synthesized, structurally confirmed by spectral anal., and evaluated for their anti-HIV activities by inhibition of HIV-induced cytopathogenicity in MT-4 cell culture. The results showed that some compounds exhibited inhibitory activity specifically against HIV-2 replication. The most active HIV-2 inhibitor was compound I with an EC₅₀ value of 18.7 μM and SI = 15, which may provide a useful lead for further mol. optimization.

Archiv der Pharmazie (Weinheim, Germany) published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, HPLC of Formula: 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Jin, Xin published the artcileDesign, synthesis, and anticancer activity of novel berberine derivatives prepared via CuAA C “click” chemistry as potential anticancer agents, Safety of 2-(Chloromethyl)benzonitrile, the publication is Drug Design, Development and Therapy (2014), 1047-1059, database is CAplus and MEDLINE.

A series of novel derivatives of phenyl-substituted berberine triazolyls has been designed and synthesized via copper-catalyzed azide-alkyne cycloaddition click chem. in an attempt to develop antitumor agents. All of the compounds were evaluated for anticancer activity against a panel of three human cancer cell lines, including MCF-7 (breast), SW-1990 (pancreatic), and SMMC-7721 (liver) and the noncancerous human umbilical vein endothelial cell (HUVEC) cell lines. The results indicated that most of the compounds displayed notable anticancer activities against the MCF-7 cells compared with berberine. Among these derivatives, compound 16 showed the most potent inhibitory activity against the SW-1990 and SMMC-7721 cell lines, with half-maximal inhibitory concentration (IC₅₀) values of 8.54±1.97 μM and 11.87±1.83 μM, resp. Compound 36 exhibited the most potent inhibitory activity against the MCF-7 cell line, with an IC₅₀ value of 12.57±1.96 μM. Compound 16 and compound 36 exhibited low cytotoxicity in the HUVEC cell line, with IC₅₀ values of 25.49±3.24 μM and 30.47±3.47 μM. Furthermore, compounds 14, 15, 16, 17, 18, 32, and 36 exhibited much better selectivity than berberine toward the normal cell line HUVEC.

Drug Design, Development and Therapy published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Safety of 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Li, Xiangmin published the artcileOne-Pot Synthesis of Deuterated Aldehydes from Arylmethyl Halides, Application of 2-(Chloromethyl)benzonitrile, the publication is Organic Letters (2018), 20(7), 1712-1715, database is CAplus and MEDLINE.

A facile, one-pot approach for synthesizing deuterated aldehydes from arylmethyl halides was developed using D₂O as the deuterium source. The efficient process is realized by a sequence of formation, H/D exchange and oxidation of pyridinium salt intermediates. The mild and air-compatible reaction conditions enable efficient synthesis of diverse deuterated aldehydes with high deuterium incorporation.

Organic Letters published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Application of 2-(Chloromethyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Bai, Hong Ye published the artcile1,8,16,23-Tetrakis(2-cyanobenzyl)bis-p-xylylbis-m-xylyldiamine, Application In Synthesis of 612-13-5, the publication is Acta Crystallographica, Section E: Structure Reports Online (2008), 64(11), o2142, o2142/1-o2142/11, database is CAplus and MEDLINE.

The title compound {systematic name: 2,2′,2”,2”’-[3,7,11,15-tetraaza-1(1,4),5(1,3),9(1,4),13(1,3)-tetrabenzenacyclohexadecaphane-3,7,11,15-tetrayltetramethylene]tetrabenzonitrile}, C₆₄H₅₆N₈, is a centrosym. macrocycle that is consolidated into the crystal structure by C-H···π interactions. Crystallog. data are given.

Acta Crystallographica, Section E: Structure Reports Online published new progress about 612-13-5. 612-13-5 belongs to nitriles-buliding-blocks, auxiliary class Organic Pigment, name is 2-(Chloromethyl)benzonitrile, and the molecular formula is C8H6ClN, Application In Synthesis of 612-13-5.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts