3,3-dimethylspiro[cyclopropane-1,1'-indane]-2-carboxylic acid | 60424-45-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 3,3-dimethylspiro[cyclopropane-1,1'-indane]-2-carboxylic acid
• 英文别名: 2',2'-Dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylic acid
• CAS: 60424-45-5
• 化学式: C₁₄H₁₆O₂
• 分子量: 216.28
• InChiKey: MAHFUOSRSHBAFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-dimethylspiro[cyclopropane-1,1'-indane]-2-carboxylic acid 生成 3,3-dimethylspiro[cyclopropane-1,1'-indane]-2-carboxylic acid,α-cyano-m-phenoxybenzyl ester
  参考文献：
  名称：

  Method for controlling acarina

  摘要：

  本发明涉及使用螺环羧酸的m-苯氧基苯甲酸酯作为杀螨剂。

  公开号：

  US04060632A1

文献信息

• P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20160032330A1

  公开（公告）日：2016-02-04

  The present invention pertains to the use of engineered variants of enzyme CYP102A, also known as P450-BM3, for cyclopropanation of olefins containing electron-withdrawing groups. One exemplary enzyme variant, referred to as BM3-HStar, contains five mutations away from wild-type P450-BM3, and demonstrates high activity towards cyclopropanation of olefinic substrates using ethyldiazoacetate (EDA) and other carbene transfer reagents. Products of these reactions are potential precursors of levomilnacipran derivatives, a class of compounds that have been shown to be selective inhibitors of monoamine transporters. In addition, cyclopropanation reactions with the P450-BM3 enzyme variants of the invention can be conducted in whole cells expressing the enzyme variants and can proceed under aerobic conditions.
• US4060632A
  申请人：——

  公开号：US4060632A

  公开（公告）日：1977-11-29
• Method for controlling acarina
  申请人：American Cyanamid Company

  公开号：US04060632A1

  公开（公告）日：1977-11-29

  This invention relates to the use of m-phenoxy-benzyl esters of spirocarboxylic acids as acaricidal agents.

  本发明涉及使用螺环羧酸的m-苯氧基苯甲酸酯作为杀螨剂。