1-(5-chloro-thiophen-2-yl)-2-[1,2,4]triazol-1-yl-ethanone | 63094-07-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-chloro-thiophen-2-yl)-2-[1,2,4]triazol-1-yl-ethanone
• 英文别名: 1-(5-Chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)ethanone
• CAS: 63094-07-5
• 化学式: C₈H₆ClN₃OS
• 分子量: 227.674
• InChiKey: ZHQICGNEHRWQSY-UHFFFAOYSA-N

物化性质

• 沸点：
  456.3±55.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(5-chloro-thiophen-2-yl)-2-[1,2,4]triazol-1-yl-ethanone 、 2,4-二氯苯甲醛 以9%的产率得到
  参考文献：
  名称：

  IWASAKI, YOSHIYA;FUJITA, TAKAYUKI;YABE, HIROKO;HIRAO, HIROHIKO;KITAGAWA, +, YAKUGAKU DZASSI, 108,(1988) N0, S. 942-950

  摘要：

  DOI：

文献信息

• [EN] ANTIFUNGAL SUBSTITUTED PROPYL TRIAZOLE COMPOUND, ITS SALT, AND PREPARATION METHODS THEREOF<br/>[FR] COMPOSE ANTIFONGIQUE DE TIRAZOLE A SUBSTITUTION PROPYLE, SES SELS, ET SES PROCEDES DE PREPARATION
  申请人：UNIV PLA 2ND MILITARY MEDICAL

  公开号：WO2001089447A2

  公开（公告）日：2001-11-29

  The substituted propyl triazole compounds of formula (I) and the salts thereof having the structure (II): (I), (II) wherein X is hydrogen or alkyl group; M is hydrogen, hydroxy or ester group; Ar is selected from phenyl, naphthyl, thienyl, furyl, pyridyl and pyrimidinyl substituted by halogen, nitro group, trifluoromethyl or trifluoromethoxy group; L is hydrochloric acid, hydrobromic acid, methyl sulfonic acid, nitric acid, sulfuric acid, phosphoric acid, acetic acid, oxalic acid, maleic acid, citric acid, fumaric acid, gluconic acid, lactic acid, succinic acid, tartaric acid, malic acid: Y is (a) wherein R1-8 is selected from hydrogen, alkyl, cyano or ester group; Z is selected from N or CH; R is selected from (1)formacyl;(2)alkyl group;(3) benzyl or substituted benzyl group;(4)phenyl or substituted phenyl group. The compounds of formula (I) and formula (II) have wide-spectrum potent activity against systemic fungal infections, as well as have low toxicity.