4-(3,4-Dimethoxy-phenyl)-2-methyl-thiazole-5-carboxylic acid | 721427-29-8

• 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: 4-(3,4-Dimethoxy-phenyl)-2-methyl-thiazole-5-carboxylic acid
• 英文别名: 4-(3,4-Dimethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid；4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
• CAS: 721427-29-8
• 化学式: C₁₃H₁₃NO₄S
• 分子量: 279.317
• InChiKey: KVDSAJMOOQXIDZ-UHFFFAOYSA-N

物化性质

• 沸点：
  423.9±45.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  96.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(3,4-Dimethoxy-phenyl)-2-methyl-thiazole-5-carboxylic acid 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以98%的产率得到4-(3,4-dimethoxyphenyl)-2-methylthiazole-5-carbonyl chloride
  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
• 作为产物：
  描述：

  methyl 2-chloro-3-(3,4-dimethoxyphenyl)-3-oxopropionate 在 sodium hydroxide 、 碳酸氢钠 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 9.0h， 生成 4-(3,4-Dimethoxy-phenyl)-2-methyl-thiazole-5-carboxylic acid
  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