ethyl α-methyl-α-ethylvalerate | 81923-96-8

• 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: ethyl α-methyl-α-ethylvalerate
• 英文别名: 2-ethyl-2-methyl-valeric acid ethyl ester；2-Aethyl-2-methyl-valeriansaeure-aethylester；(+/-)-2-Methyl-2-ethyl-pentansaeure-1-ethylester；Ethyl a-methyl-a-ethylvalerate；ethyl 2-ethyl-2-methylpentanoate
• CAS: 81923-96-8
• 化学式: C₁₀H₂₀O₂
• mdl: MFCD11555078
• 分子量: 172.268
• InChiKey: GCUAKETYEWOPKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  81 °C(Press: 20 Torr)
• 密度：
  0.873±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 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

反应信息

• 作为反应物：
  描述：

  ethyl α-methyl-α-ethylvalerate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-乙基-2-甲基戊酸
  参考文献：
  名称：

  协同光氧化还原和钯催化的辅助定向C（sp3）-H芳基化

  摘要：

  在这里，我们描述了未活化的C（sp 3）-H键与芳基重氮盐的辅助定向芳基化，该芳基重氮盐在协同的光氧化还原和钯催化下进行。脂族酰胺具有α-季中心的位点选择性芳基化是通过对β-甲基C（sp 3）-H键的高选择性实现的。这种操作简单的方法与碳环酰胺，各种芳基重氮盐兼容，并在环境条件下进行。

  DOI：

  10.1002/chem.201704045
• 作为产物：
  描述：

  2-甲基丁酸乙酯 在 乙醚 、 三苯甲基钠 作用下， 生成 ethyl α-methyl-α-ethylvalerate
  参考文献：
  名称：

  Stereoisomeric Oximes of Cholestenone

  摘要：

  DOI：

  10.1021/ja01866a055

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。
• Carbonylation of tertiary alcohols and ?-olefins in the presence of BF3�H2O by ethyl formate at atmospheric pressure
  作者：S. D. Pirozhkov、A. S. Stepanyan、M. B. Ordyan、A. L. Lapidus

  DOI：10.1007/bf00949781

  日期：1982.3
• Notes- Unsymemetrical Quaternary Carbon Compounds. III. The Preparation and Resolution of Trialkylacetic Acids
  作者：Franklin Prout、Bohdan Burachinsky、William Brannen, Jr.、Herbert Young

  DOI：10.1021/jo01075a607

  日期：1960.5
• 773. The reaction between aromatic compounds and derivatives of tertiary acids. Part XI. Friedel–Crafts reactions with optically active acid chlorides
  作者：William Bleazard、Eugene Rothstein

  DOI：10.1039/jr9580003789

  日期：——
• CN112174799
  申请人：——

  公开号：——

  公开（公告）日：——