1,3-Bis[5-methyl-2-(1-methylethyl)phenyl] propanedioate | 16034-55-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,3-Bis[5-methyl-2-(1-methylethyl)phenyl] propanedioate
• 英文别名: bis(5-methyl-2-propan-2-ylphenyl) propanedioate
• CAS: 16034-55-2
• 化学式: C₂₃H₂₈O₄
• 分子量: 368.473
• InChiKey: HCPSUMXXEGBRMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  百里酚 、 丙二酰氯 在 sodium hydroxide 作用下， 反应 0.03h， 以99%的产率得到1,3-Bis[5-methyl-2-(1-methylethyl)phenyl] propanedioate
  参考文献：
  名称：

  Microwave-assisted Sinthesis of Thymyl Ethers and Esters in Aqueous Medium

  摘要：

  Various thymyl ethers and esters have been synthesized by reactions of thymol with alkyl halides and acid chlorides, respectively, in aqueous medium under environmentally benign conditions using microwave irradiation. The products are important as potent pest managing agents.

  DOI：

  10.1023/b:rugc.0000025504.59745.09

文献信息

• SYNTHESIS OF THYMYL ETHERS AND ESTERS USING POLYMER-SUPPORTED THYMOL ANION
  作者：P. P. Kumbhar、U. R. Kapadi、D. G. Hundiwale、S. B. Attarde、P. M. Dewang、N. S. Pawar

  DOI：10.1080/00304940009355961

  日期：2000.12
• Microwave-assisted Sinthesis of Thymyl Ethers and Esters in Aqueous Medium
  作者：D. H. More、N. S. Pawar、P. M. Dewang、S. L. Patil、P. P. Mahulikar

  DOI：10.1023/b:rugc.0000025504.59745.09

  日期：2004.2

  Various thymyl ethers and esters have been synthesized by reactions of thymol with alkyl halides and acid chlorides, respectively, in aqueous medium under environmentally benign conditions using microwave irradiation. The products are important as potent pest managing agents.