2-乙基戊酸乙酯 | 43164-26-7

• 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-乙基戊酸乙酯
• 英文名称: ethyl ester of 2-ethylpentanoic acid
• 英文别名: ethyl α-ethylvalerate；ethyl 2-ethylvalerate；α-Ethyl-n-pentansaeureethylester；2-Ethyl-valeriansaeure-ethylester；2-Aethyl-valeriansaeure-aethylester；2-ethyl-valeric acid ethyl ester；Ethyl 2-ethylpentanoate
• CAS: 43164-26-7
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: DWTUXMIVGUYEQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  6
• 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

反应信息

• 作为反应物：
  描述：

  2-乙基戊酸乙酯 在 乙醇 、 sodium 作用下， 生成 2-乙基-1-戊醇
  参考文献：
  名称：

  Morgan; Hardy; Procter, Journal of the Society of Chemical Industry, 1932, vol. 51, p. 1 T, 7 T

  摘要：

  DOI：
• 作为产物：
  描述：

  Alpha-乙基戊酸 生成 2-乙基戊酸乙酯
  参考文献：
  名称：

  Rasetti, Bulletin de la Societe Chimique de France, 1905, vol. <3>33, p. 691

  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。
• 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS
  申请人：Janssen Pharmaceutica NV

  公开号：US20160199342A1

  公开（公告）日：2016-07-14

  The invention features 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs, compositions containing them, and methods of using them as PPAR delta modulators to treat or inhibit the progression of, for example, dyslipidemia.

  这项发明涉及4-((苯氧烷基)硫基)-苯氧乙酸及其类似物、包含它们的组合物，以及使用它们作为PPARδ调节剂的方法，用于治疗或抑制例如脂质代谢异常等疾病的进展。
• FUNCTIONALIZED NON-PHENOLIC AMINO ACIDS AND ABSORBABLE POLYMERS THEREFROM
  申请人：Bezwada Biomedical, LLC

  公开号：US20130116446A1

  公开（公告）日：2013-05-09

  The present invention relates to compound of formula I, which are functionalized, non-phenolic amino acids, and polymers formed from the same. Polymers formed from the functionalized amino acids are expected to have controllable degradation profiles, enabling them to release an active component over a desired time range. The polymers are also expected to be useful in a variety of medical applications.

  本发明涉及公式I的化合物，这些化合物是功能化的非酚类氨基酸，以及由它们形成的聚合物。从功能化氨基酸形成的聚合物预计具有可控的降解特性，使它们能够在期望的时间范围内释放活性成分。这些聚合物还预计在各种医学应用中有用。
• 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。
• 一种2-乙基戊酸的制备方法
  申请人：湖南省湘中制药有限公司

  公开号：CN117069561A

  公开（公告）日：2023-11-17

  本发明涉及化学结构式B所示的2‑乙基戊酸的制备方法：选择乙酰乙酸酯与1‑氯丙烷，在碳酸钾作用下，催化丙基化，再经还原和水解制得2‑乙基戊酸；其制备反应如下：#imgabs0#R＝苄基、C1～C5直链烷基或C3～C5支链烷基；H+选自盐酸、硫酸或磷酸。PTC选自：四丁基氯化铵、四丁基溴化铵、四丁基碘化铵、四丙基氯化铵、四丙基溴化铵、四丙基碘化铵、四乙基氯化铵、四乙基溴化铵或四乙基碘化铵、四甲基氯化铵、四甲基溴化铵、四甲基碘化铵、十六烷基三甲基溴化铵、十八烷基三甲基溴化铵、三乙基苄基氯化铵、三甲基苄基氯化铵。2‑乙基戊酸用于丙戊酸或丙戊酸钠生产工艺中杂质的定性或定量分析。