trimethyl-2,3,3 ethyl-2 butyrate d'ethyle | 86266-73-1

• 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: trimethyl-2,3,3 ethyl-2 butyrate d'ethyle
• 英文别名: Butanoic acid, 2-ethyl-2,3,3-trimethyl, ethyl ester；ethyl 2-ethyl-2,3,3-trimethylbutanoate
• CAS: 86266-73-1
• 化学式: C₁₁H₂₂O₂
• 分子量: 186.294
• InChiKey: LAFWOZVYMOJZBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 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

• 作为反应物：
  描述：

  trimethyl-2,3,3 ethyl-2 butyrate d'ethyle 在 氯化亚砜 、 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 生成 4-ethyl-2,2,4,5,5-pentamethylhexan-3-one
  参考文献：
  名称：

  Lion, Claude; Dubois, Jacques-Emile, Bulletin de la Societe Chimique de France, 1982, vol. 2, # 11-12, p. 375 - 379

  摘要：

  DOI：
• 作为产物：
  描述：

  叔丁基乙酸乙酯 在 lithium diisopropyl amide 作用下， 生成 trimethyl-2,3,3 ethyl-2 butyrate d'ethyle
  参考文献：
  名称：

  Lion, Claude; Dubois, Jacques-Emile, Bulletin de la Societe Chimique de France, 1982, vol. 2, # 11-12, p. 375 - 379

  摘要：

  DOI：

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。
• ALPHA,ALPHA-DISUBSTITUTED CARBOXYLIC ACID ESTERS FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：EP3597626A1

  公开（公告）日：2020-01-22

  The present invention relates to the use of an α,α-disubstituted carboxylic acid ester of the general formula (I) wherein the variables are as defined in the claims and the description, or of mixtures of two or more of these α,α-disubstituted carboxylic acid esters or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aroma chemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an α,α-disubstituted carboxylic acid ester of the general formula (I) or a mixture of two or more of said α,α-disubstituted carboxylic acid esters or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific α,α-disubstituted carboxylic acid esters of the general formula (I).

  本发明涉及通式（I）的α,α-二取代羧酸酯的用途 其中的变量如权利要求和说明中所定义，或两种或两种以上这种α,α-二取代羧酸酯的混合物，或其立体异构体，或其两种或两种以上立体异构体的混合物作为芳香化学品的用途；其用于改变芳香组合物的香味特征；含有通式(I)的α,α-二取代羧酸酯或两种或两种以上所述α,α-二取代羧酸酯的混合物或其立体异构体或其两种或两种以上立体异构体的混合物的芳香化学组合物；以及制备芳香组合物或改变芳香组合物香味特征的方法。 本发明还涉及通式(I)的特定α,α-二取代羧酸酯。
• LION, C.;DUBOIS, J. -E., BULL. SOC. CHIM. FRANCE, 1982, N 11-12, 375-379
  作者：LION, C.、DUBOIS, J. -E.

  DOI：——

  日期：——
• Lion, Claude; Dubois, Jacques-Emile, Bulletin de la Societe Chimique de France, 1982, vol. 2, # 11-12, p. 375 - 379
  作者：Lion, Claude、Dubois, Jacques-Emile

  DOI：——

  日期：——