2-Ethyl-2,3-dimethyl-butyric acid isopropyl ester | 58190-87-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-Ethyl-2,3-dimethyl-butyric acid isopropyl ester
• 英文别名: Propan-2-yl 2-ethyl-2,3-dimethylbutanoate；propan-2-yl 2-ethyl-2,3-dimethylbutanoate
• CAS: 58190-87-7
• 化学式: C₁₁H₂₂O₂
• 分子量: 186.294
• InChiKey: GKUQKBYXRXRFPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二氯乙酸异丙酯 生成 2-Ethyl-2,3-dimethyl-butyric acid isopropyl ester
  参考文献：
  名称：

  烯酸酯化：V.重新制备酯类反应物的类似物，如α，α-二氯和α-单卤化物。重新激活

  摘要：

  锂在0至-5°C下于THF中的α，α-二氯酸酯和α，α-二取代的α-单卤代酸酯上反应，导致相应Reformatsky试剂的硫代类似物形成，收率很高（80-90％）。它们的反应性已针对各种亲电子试剂进行了测试。它说明了这些试剂的广泛合成用途（与伯烷基和仲烷基溴的烷基化，羟烷基化，酰化），并提供了制备酯和α-氯代酯的新途径。

  DOI：

  10.1016/s0022-328x(00)88579-4

文献信息

• METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE
  申请人：API Corporation

  公开号：US20160083341A1

  公开（公告）日：2016-03-24

  According to the present invention, it becomes possible to perform a process for converting into an α-substituted cysteine represented by general formula (1) or a salt thereof at low cost and on an industrial scale by employing a process that is routed through a compound represented by general formula (3) to a compound represented by general formula (6). Particularly, by employing a process that is routed through a compound represented by general formula (7-2), it becomes possible to detach a tert-butyl protection group in a simple manner and to produce the compound represented by general formula (1) with high purity. Furthermore, by employing a process that is routed through tert-butylthiomethanol or a process that is routed through a compound represented by general formula (9), it becomes possible to produce a compound represented by general formula (2) without generating bischloromethylether that is an oncogenic substance. In the production of an α-substituted-D-cysteine or a salt thereof, it becomes possible to perform a process for converting the compound represented by general formula (2) into a compound represented by general formula (3S) in one step by allowing an enzyme or the like to act on the compound represented by general formula (2).

  根据本发明，通过采用经由一种化合物（通式（3）表示）到一种通式（6）表示的化合物的过程，可以以低成本和工业化规模进行将其转化为通式（1）表示的α-取代半胱氨酸或其盐的过程。特别是，通过采用经由一种通式（7-2）表示的化合物的过程，可以简单地去除叔丁基保护基，并以高纯度生产通式（1）表示的化合物。此外，通过采用经由叔丁基硫代甲醇或经由一种通式（9）表示的化合物的过程，可以生产通式（2）表示的化合物，而不产生致癌物质双氯甲醚。在生产α-取代-D-半胱氨酸或其盐时，可以通过允许酶或类似物作用于通式（2）表示的化合物，一步将其转化为通式（3S）表示的化合物。
• PERFUME SYSTEMS
  申请人：Denutte Hugo Robert Germain

  公开号：US20100287710A1

  公开（公告）日：2010-11-18

  The present application relates to polymer assisted perfume delivery systems and consumer products comprising such perfume delivery systems, as well as processes for making and using such perfume delivery systems and consumer products. The delivery systems, disclosed herein expand the perfume communities' options as such delivery systems can provide variations on character and desired odor profiles.
• PARTICLES COMPRISING VOLATILE MATERIALS AND PARTICLE GAS SATURATED SOLUTION PROCESSES FOR MAKING SAME
  申请人：Rauckhorst Holly Balasubramanian

  公开号：US20120258150A1

  公开（公告）日：2012-10-11

  Particles containing a polymer and a volatile material, such as a perfume, and particle gas saturated solution (PGSS) processes for making such particles are provided.
• [EN] PARTICLES COMPRISING VOLATILE MATERIALS AND PARTICLE GAS SATURATED SOLUTION PROCESSES FOR MAKING SAME<br/>[FR] PARTICULES COMPORTANT DES MATIÈRES VOLATILES ET PROCÉDÉS D'OBTENTION DE PARTICULES DE SOLUTION SATURÉE EN GAZ POUR LES FABRIQUER
  申请人：PROCTER & GAMBLE

  公开号：WO2012142059A2

  公开（公告）日：2012-10-18

  Particles containing a polymer and a volatile material, such as a perfume, and particle gas saturated solution (PGSS) processes for making such particles are provided.
• Enolates d'esters
  作者：Jean Villieras、Pierre Perriot、Monique Bourgain、Jean-F. Normant

  DOI：10.1016/s0022-328x(00)88579-4

  日期：1975.12

  yields (80–90%). Their reactivity has been tested toward various electrophiles. It illustrates the wide scope of synthetic utility of these reagents (alkylation with primary and secondary alkyl bromides, hydroxy alkylation, acylation) and provides new routes to esters and α-chloroesters.

  锂在0至-5°C下于THF中的α，α-二氯酸酯和α，α-二取代的α-单卤代酸酯上反应，导致相应Reformatsky试剂的硫代类似物形成，收率很高（80-90％）。它们的反应性已针对各种亲电子试剂进行了测试。它说明了这些试剂的广泛合成用途（与伯烷基和仲烷基溴的烷基化，羟烷基化，酰化），并提供了制备酯和α-氯代酯的新途径。