3,5-Dimethyl-3H-[1,2,3]triazole-4-carboxylic acid methyl ester | 175789-80-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-Dimethyl-3H-[1,2,3]triazole-4-carboxylic acid methyl ester
• 英文别名: Methyl 3,5-dimethyltriazole-4-carboxylate
• CAS: 175789-80-7
• 化学式: C₆H₉N₃O₂
• 分子量: 155.156
• InChiKey: YHSNRRUHBUUWBK-UHFFFAOYSA-N

物化性质

• 沸点：
  253.5±32.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  叠氮基甲烷 、 2-丁炔酸甲酯 以 苯 为溶剂， 反应 360.0h， 生成 1,5-Dimethyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester 、 3,5-Dimethyl-3H-[1,2,3]triazole-4-carboxylic acid methyl ester
  参考文献：
  名称：

  Piet, J. C.; Hetet, G. Le; Cailleux, P., Bulletin des Societes Chimiques Belges, 1996, vol. 105, # 1, p. 33 - 44

  摘要：

  DOI：

文献信息

• TEMPLATE DIRECTED SPLIT AND MIX SYSTHESIS OF SMALL MOLECULE LIBRARIES
  申请人：Rasmussen Peter Birk

  公开号：US20090209430A1

  公开（公告）日：2009-08-20

  The present invention provides a method for combining the advantages of encoded molecule fragments made by split and mix synthesis with the advantages of template directed synthesis of molecules. The method provided in the invention comprises the steps of: Adding a linker molecule L to one or more reaction wells; Adding a molecule fragment to each of said reaction wells; Adding an oligonucleotide identifier to each of said reaction wells; Subjecting said wells to conditions sufficient to allow said molecule fragments and said oligonucleotide identifiers to become attached to said linker molecule, or conditions sufficient for said molecule fragments to bind to other molecule fragments and sufficient for said oligonucleotide identifiers to bind to other oligonucleotide identifiers; Combining the contents of said one or more reaction wells; Optionally, distributing the combined product to one or more new reaction wells; Optionally, repeating steps b) to e) one or more times; Contacting the resulting bifunctional molecule(s) of step e) or g) with one or more Contacting the resulting bifunctional molecule(s) of step e) or g) with one or more (oligonucleotide) templates each capable of hybridizing to at least one of the oligonucleotide identifiers added in step c).
• [EN] NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS<br/>[FR] NOUVEAUX ANALOGUES DE LA PIPÉRAZINE COMPORTANT DES GROUPES HÉTÉROARYLE SUBSTITUÉS UTILISÉS COMME ANTIVIRAUX À LARGE SPECTRE PROTÉGEANT DE LA GRIPPE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012044531A1

  公开（公告）日：2012-04-05

  A compound of the following Formula (I) is set forth, including pharmaceutically acceptable salts thereof: wherein Het is a 5 or 6-membered heterocycle with -N, -O, or -S adjacent to the -Ar substituent or adjacent to the point of attachment for the -Ar substituent; Ar is aryl or heteroaryl; R is -CH3, -CH2F, -CHF2 or -CH=CH2; V is -H, -CH3 or =0; W is -NO2, -CI, -Br, -CH2OH, or -CN; X is -CI, -Br, -F, -CH3, -OCH3, or -CN; Y is -CH or -N; and Z is -CH or -N. This compound is useful in compositions for the prevention and treatment of influenza virus.
• Piet, J. C.; Hetet, G. Le; Cailleux, P., Bulletin des Societes Chimiques Belges, 1996, vol. 105, # 1, p. 33 - 44
  作者：Piet, J. C.、Hetet, G. Le、Cailleux, P.、Benhaoua, H.、Carrie, R.

  DOI：——

  日期：——