N-(1,1-dimethyl-prop-2-inyl)-4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(1,1-dimethyl-prop-2-inyl)-4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carboxamide
• 英文别名: 4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylbut-3-yn-2-yl)-1,3-thiazole-5-carboxamide
• 化学式: C₁₈H₂₀N₂O₃S
• 分子量: 344.434
• InChiKey: AGNCGMPRFSAYCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 2-chloro-3-(3,4-dimethoxyphenyl)-3-oxopropionate 在 sodium hydroxide 、 氯化亚砜 、 碳酸氢钠 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 、 水 、 乙腈 为溶剂， 反应 11.17h， 生成 N-(1,1-dimethyl-prop-2-inyl)-4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carboxamide
  参考文献：
  名称：

  Design, synthesis, and biological activity of novel 4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carboxylic acid derivatives

  摘要：

  Novel 4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carboxylic acid derivatives (11-23) were synthesized from 3,4-dimethoxyacetophenone (5) in six-step procedure. Their biological activities were evaluated in the greenhouse. Some of the compounds had shown fungicidal and insecticidal activities at 375 g ai/ha and 600 g ai/ha, respectively. 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.050

文献信息

• Design, synthesis, and biological activity of novel 4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carboxylic acid derivatives
  作者：Chang-Ling Liu、Lin Li、Zheng-Ming Li

  DOI：10.1016/j.bmc.2004.03.050

  日期：2004.6

  Novel 4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carboxylic acid derivatives (11-23) were synthesized from 3,4-dimethoxyacetophenone (5) in six-step procedure. Their biological activities were evaluated in the greenhouse. Some of the compounds had shown fungicidal and insecticidal activities at 375 g ai/ha and 600 g ai/ha, respectively. 2004 Elsevier Ltd. All rights reserved.