methy 2-oxododecanoate | 145345-83-1

• 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: methy 2-oxododecanoate
• 英文别名: α-Keto-laurinsaeuremethylester；Methyl 2-oxododecanoate
• CAS: 145345-83-1
• 化学式: C₁₃H₂₄O₃
• 分子量: 228.332
• InChiKey: ZHNKGWONZRUGTG-UHFFFAOYSA-N

物化性质

• 沸点：
  304.2±11.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methy 2-oxododecanoate 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 反应 24.0h， 生成 2-ketododecanoic acid
  参考文献：
  名称：

  Valcavi; Albertoni; Brandt, Arzneimittel-Forschung/Drug Research, 1989, vol. 39, # 10, p. 1190 - 1195

  摘要：

  DOI：
• 作为产物：
  描述：

  2-羟基十二烷酸甲酯 在 jones reagent 作用下， 以 丙酮 为溶剂， 反应 0.75h， 生成 methy 2-oxododecanoate
  参考文献：
  名称：

  Valcavi; Albertoni; Brandt, Arzneimittel-Forschung/Drug Research, 1989, vol. 39, # 10, p. 1190 - 1195

  摘要：

  DOI：

文献信息

• Autoinducer compounds
  申请人：The Research & Development Institute, Inc.

  公开号：US06337347B1

  公开（公告）日：2002-01-08

  Autoinducer compounds which enhance gene expression in a wide variety of microorganisms, therapeutic compositions and therapeutic methods wherein gene expression within microorganisms is regulated are disclosed.

  自动诱导化合物可以增强各种微生物的基因表达，公开了基因表达在微生物内部受到调控的治疗组合物和治疗方法。
• A general and straightforward approach to α,ω-ketoesters
  作者：Francesco Babudri、Vito Fiandanese、Giuseppe Marchese、Angela Punzi

  DOI：10.1016/0040-4020(96)00805-8

  日期：1996.10

  Chemoselective cross-coupling reactions of monoesters of dicarboxylic acid chlorides with organocopper reagents derived from Grignard reagents, cuprous bromide, and lithium bromide, provide a simple and straightforward method for synthesizing a variety of ketoesters.

  二羧酸氯化物单酯与衍生自格氏试剂，溴化亚铜和溴化锂的有机铜试剂的化学选择性交叉偶联反应为合成各种酮酸酯提供了一种简单明了的方法。
• Process for reacting a carboxylic acid ester
  申请人：Evonik Operations GmbH

  公开号：US10745721B2

  公开（公告）日：2020-08-18

  The invention provides a process for reacting a carboxylic acid ester of the formula (I) R1-A-COOR2  (I), wherein R1 is hydrogen, —CH2OH, —CHO, —COOR3, —CH2SH, —CH2OR3 or —CH2NH2, R2 is an alkyl group, R3 is hydrogen or an alkyl group, and A is a substituted, unsubstituted, linear, branched and/or cyclic alkylene, alkenylene, arylene or aralkylene radical having at least 4 carbons, in the presence of a cell. The process comprises a) contacting the cell with said carboxylic acid ester in an aqueous solution, wherein the cell is a recombinant cell which has reduced activity of a polypeptide comprising SEQ ID NO: 2 or a variant thereof over the wild-type cell.

  本发明提供了一种使式 (I) 羧酸酯发生反应的工艺 R1-A-COR2 (I)、 其中 R1 是氢、-CH2OH、-CHO、-COOR3、-CH2SH、-CH2OR3 或 -CH2NH2，R2 是烷基，R3 是氢或烷基，A 是取代的、未取代的、直链的、支链的和/或环状的亚 烷基、亚烯基、亚芳基或芳烷基，至少有 4 个碳原子。该过程包括 a) 使细胞与水溶液中的所述羧酸酯接触，其中细胞是重组细胞，与野生型细胞相比，其包含 SEQ ID NO: 2 或其变体的多肽的活性降低。
• PROCESS FOR REACTING A CARBOXYLIC ACID ESTER
  申请人：SCHAFFER Steffen

  公开号：US20140141478A1

  公开（公告）日：2014-05-22

  The invention provides a process for reacting a carboxylic acid ester of the formula (I) R 1 -A-COOR 2 (I), wherein R 1 is hydrogen, —CH 2 OH, —CHO, —COOR 3 , —CH 2 SH, —CH 2 OR 3 or —CH 2 NH 2 , R 2 is an alkyl group,R 3 is hydrogen or an alkyl group, and A is a substituted, unsubstituted, linear, branched and/or cyclic alkylene, alkenylene, arylene or aralkylene radical having at least 4 carbons,in the presence of a cell. The process comprises a) contacting the cell with said carboxylic acid ester in an aqueous solution,wherein the cell is a recombinant cell which has reduced activity of a polypeptide comprising SEQ ID NO: 2 or a variant thereof over the wild-type cell.