2-乙基-2-甲基戊酸甲酯 | 37974-23-5

• 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-甲基戊酸甲酯
• 英文名称: 2-ethyl-2-methyl-valeric acid methyl ester
• 英文别名: 2-Aethyl-2-methyl-valeriansaeure-methylester；2-Ethyl-2-methylpentansaeuremethylester；Pentanoic acid, 2-ethyl-2-methyl-, methyl ester；methyl 2-ethyl-2-methylpentanoate
• CAS: 37974-23-5
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: JVBYMEHKMMCQBG-UHFFFAOYSA-N

物化性质

• 沸点：
  164.4±8.0 °C(Predicted)
• 密度：
  0.876±0.06 g/cm3(Predicted)
• 保留指数：
  948

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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-甲基戊酸甲酯 在 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 2-乙基-2-甲基戊酸
  参考文献：
  名称：

  镍催化未活化 C(sp3)-H 键的位点选择性烷基化

  摘要：

  脂肪族酰胺的未活化 sp(3) CH 键的直接烷基化是通过镍催化在双齿导向基团的帮助下实现的。该反应有利于甲基的 CH 键而不是亚甲基的 CH 键，并且可以耐受各种官能团。此外，该反应表明，在环金属化步骤中，甲基的 sp(3) CH 键通过五元环中间体优先于芳烃的 sp(2) CH 键。

  DOI：

  10.1021/ja413131m
• 作为产物：
  描述：

  3-甲基-4-庚酮 在 乙醚 、 溴 作用下， 生成 2-乙基-2-甲基戊酸甲酯
  参考文献：
  名称：

  The New Acid Synthesis. II. The Effect of Hindrance. Methyl Tertiary-Butyl- and Methylethylpropylacetic Acids¹

  摘要：

  DOI：

  10.1021/ja01254a024

文献信息

• Copper-Catalyzed Site-Selective Intramolecular Amidation of Unactivated C(sp³)H Bonds
  作者：Xuesong Wu、Yan Zhao、Guangwu Zhang、Haibo Ge

  DOI：10.1002/anie.201311263

  日期：2014.4.1

  of aliphatic amides, directed by a bidentate ligand, was developed using a copper‐catalyzed sp3 CH bond functionalization process. The reaction favors predominantly the CH bonds of β‐methyl groups over the unactivated methylene CH bonds. Moreover, a preference for activating sp3 CH bonds of β‐methyl groups, via a five‐membered ring intermediate, over the aromatic sp2 CH bonds was also observed in

  脂肪族酰胺的分子内酰胺化脱氢，由双齿配体定向，使用铜-催化的SP被开发3 Ç  H键官能化方法。该反应有利于主要的C  β甲基团与未活化的亚甲基] C H键 H键。此外，用于激活SP的偏好3 Ç  β甲基基团的H键，经由五元环中间，在所述芳族SP 2个ç  H键在环金属化步骤中也观察到。此外，SP 3个Ç 未活化二次属的H键3 Ç 通过使环碳原子优先于线性碳原子，可以使H键官能化。
• 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。
• Novel multi-branched polymer
  申请人：Aoyagi Koichiro

  公开号：US20070142504A1

  公开（公告）日：2007-06-21

  The aim of the present invention is to provide a multi-branched polymer, in which branch terminals can be easily modified and which have a high degree of branching and narrow dispersion. By polymerizing a compound having 2 or more polymerization-initiation sites and polymerizable unsaturated bonds with a living radical polymerization method using a metal catalyst, it is possible to produce a multi-branched polymer with narrow dispersion and a high degree of branching and having repeating units represented by the formula (I): wherein R 1 to R 3 each independently represents hydrogen or a hydrocarbon group, R 1 may be bonded to R 3 to form a ring; X represents a connecting group having a valence of 3 or higher; Y may be the same or different and each represents a functional group which may have a halogen atom at a terminal thereof; and a is an integer of 2 or larger.

  本发明的目的是提供一种多支化聚合物，其中支链末端可以容易地修改，并具有高度分支和窄分散度。通过使用金属催化剂的活性自由基聚合方法聚合具有2个或更多聚合引发位点和可聚合不饱和键的化合物，可以产生具有窄分散度和高度分支的多支化聚合物，并具有由式（I）表示的重复单元：其中R1至R3各自独立表示氢或碳氢基团，R1可以与R3连接形成环；X表示具有3或更高价的连接基团；Y可以相同或不同，每个表示具有末端可能有卤素原子的功能基团；a是2或更大的整数。
• 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.
• REGULATION OF A CONTROLLED RADICAL POLYMERIZATION OF ACRYLATES BY LIGHT
  申请人：Dow Global Technologies LLC

  公开号：EP3129416B1

  公开（公告）日：2018-06-06

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