2-乙基-2-甲基己酸甲酯 | 3234-80-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-乙基-2-甲基己酸甲酯
• 英文名称: methyl 2-ethyl-2-methylhexanoate
• 英文别名: α-Methyl-α-ethylcapronsaeuremethylester；α-Ethyl-α-methylhexansaeuremethylester；2-Ethyl-2-methyl-hexancarbonsaeuremethylester；Methyl-ethyl-butyl-essigsaeure-methyl-ester；Hexanoic acid, 2-ethyl-2-methyl, methyl ester
• CAS: 3234-80-8
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: YEWZFIGYPGLHLR-UHFFFAOYSA-N

物化性质

• 保留指数：
  1036

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  2-乙基-2-甲基己酸甲酯 在 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 5.0h， 生成 2-乙基-2-甲基已酸
  参考文献：
  名称：

  磺胺嘧啶辅助的Pd（II）催化的初级β-C（sp 3）-H键的溴化和氯化反应

  摘要：

  在N-Br / Cl的影响下，实现了MPyS-N-酰胺的1°-β-C（sp 3）-H键的S-甲基-S -2-吡啶基亚磺酰亚胺（MPyS）定向溴化和氯化。-邻苯二甲酰亚胺和Pd（II）催化剂。α-二甲基MPyS-N-酰胺的顺序卤化和乙酰氧基化可构建高度官能化的α-三取代脂族酸衍生物。从卤化产物中裂解出MPyS指导基团并回收。

  DOI：

  10.1021/ol502337b
• 作为产物：
  描述：

  2-乙基-己酸稀土盐 在 正丁基锂 、 硫酸 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 25.0h， 生成 2-乙基-2-甲基己酸甲酯
  参考文献：
  名称：

  钯/IzQO催化的乙烯和带有极性官能团的1,1-二取代乙烯的配位-插入共聚

  摘要：

  乙烯与带有极性官能团的 1,1-二取代乙烯（如甲基丙烯酸甲酯 (MMA)）的配位插入共聚是催化聚合中长期存在的挑战。该过程的主要障碍是乙烯与 1,1-二取代乙烯在配位和插入方面的反应性存在巨大差异。在此，我们报告了使用咪唑并 [1,5-a] quinolin-9-olate-1-ylidene-supported 钯催化剂共聚乙烯和 1,1-二取代乙烯。各种类型的 1,1-二取代乙烯成功地结合到聚乙烯链中。

  DOI：

  10.1021/jacs.7b12593

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。
• 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。
• Process for the production of esters
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP0629603A1

  公开（公告）日：1994-12-21

  A process for the production of an ester or a mixture of esters, comprising allowing an olefin, carbon monoxide and an alcohol to react in the presence of hydrogen fluoride. The esters can be produced at high yields at a low temperature over a short period of time. The esters can be easily separated from the reaction solution and hydrogen fluoride can be recycled. The kinetic viscosity and the colouration of the mixture of the esters can be easily adjusted and an increase in the viscosity of the esters can be prevented.

  一种生产酯或酯混合物的工艺，包括让烯烃、一氧化碳和醇在氟化氢存在下发生反应。在低温条件下，可在短时间内生产出高产率的酯。酯可以很容易地从反应溶液中分离出来，氟化氢也可以回收利用。酯类混合物的动力学粘度和颜色可以很容易地调节，并且可以防止酯类粘度的增加。
• Palladium-catalyzed 2-pyridylmethyl-directed β-C(sp3) H activation and cyclization of aliphatic amides with gem-dibromoolefins: A rapid access to γ-lactams
  作者：Danni Zhou、Chunxia Wang、Mingliang Li、Zheng Long、Jingbo Lan

  DOI：10.1016/j.cclet.2017.06.007

  日期：2018.1

  The direct Pd-catalyzed beta-C(sp(3))-H activation and cyclization of aliphatic amides bearing a removable 2-pyridylmethyl directing group with gem-dibromoolefins is described for the first time to construct a variety of gamma-lactams. The resulting products with Z- and E-configurations can be easily separated and purified after the reaction, demonstrating the effectiveness and applicability of the method herein developed. (C) 2017 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
• First examples of the selective carbonylation of C6C10 linear alkanes to tertiary carbonyl-containing compounds
  作者：Irena S. Akhrem、Lyudmila V. Afanas’eva、Sergei V. Vitt、Pavel V. Petrovskii

  DOI：10.1070/mc2002v012n05abeh001661

  日期：2002.1

  The carbonylation of C-6-C-10 n-alkanes with CO in the presence of CBr4.2AlBr3 at -40 degreesC and 1 atm CO leads to the products of non-destructive carbonylation, i.e., the esters of tertiary carboxylic acids, (RC)-C-1(Me)(2)COOR and R-2(Et)C(Me)COOR, after the workup, of reaction mixtures with ROH.