3-(4-Isopropyl-phenyl)-buttersaeure-ethylester | 101100-49-6

• 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: 3-(4-Isopropyl-phenyl)-buttersaeure-ethylester
• 英文别名: Ethyl 3-(4-propan-2-ylphenyl)butanoate
• CAS: 101100-49-6
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: LBJFKLGMJZCBJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Method for enantioselective carbene C—H insertion using an iron-containing protein catalyst
  申请人：California Institute of Technology

  公开号：US10934531B2

  公开（公告）日：2021-03-02

  Methods for catalyzing C—H insertion reactions using heme enzymes are described. The present disclosure provides a method for producing a C—H insertion product comprising providing an substrate having an sp3-hybridized C—H bond, a carbene precursor such as a diazo reagent, and a heme enzyme, and admixing the components in a reaction for a time sufficient to produce the C—H insertion product. Heme enzyme variants useful for carrying out in vivo and in vitro C—H insertion reactions, as well as expression vectors and host cells expressing the heme enzymes, are also described.

  描述了使用血红素酶催化 C-H 插入反应的方法。本公开提供了一种生产 C-H 插入产物的方法，包括提供具有 sp3 杂化 C-H 键的底物、碳烯前体（如重氮试剂）和血红素酶，并在反应中将各组分混合足够长的时间以生产 C-H 插入产物。此外，还介绍了用于进行体内和体外 C-H 插入反应的血红素酶变体，以及表达载体和表达血红素酶的宿主细胞。
• METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST
  申请人：California Institute of Technology

  公开号：US20190276805A1

  公开（公告）日：2019-09-12

  Methods for catalyzing C—H insertion reactions using heme enzymes are described. The present disclosure provides a method for producing a C—H insertion product comprising providing an substrate having an sp 3 -hybridized C—H bond, a carbene precursor such as a diazo reagent, and a heme enzyme, and admixing the components in a reaction for a time sufficient to produce the C—H insertion product. Heme enzyme variants useful for carrying out in vivo and in vitro C—H insertion reactions, as well as expression vectors and host cells expressing the heme enzymes, are also described.
• [EN] A METHOD FOR ENANTIOSELECTIVE CARBENE C-H INSERTION USING AN IRON-CONTAINING PROTEIN CATALYST<br/>[FR] PROCÉDÉ D'INSERTION C-H ÉNANTIOSÉLECTIVE DE CARBÈNE À L'AIDE D'UN CATALYSEUR PROTÉIQUE CONTENANT DU FER
  申请人：ZHANG RUIJIE

  公开号：WO2019147865A1

  公开（公告）日：2019-08-01

  Methods for catalyzing C-H insertion reactions using heme enzymes are described. The present disclosure provides a method for producing a C-H insertion product comprising providing an substrate having an sp3-hybridized C-H bond, a carbene precursor such as a diazo reagent, and a heme enzyme, and admixing the components in a reaction for a time sufficient to produce the C-H insertion product. Heme enzyme variants useful for carrying out in vivo and in vitro C-H insertion reactions, as well as expression vectors and host cells expressing the heme enzymes, are also described.