3,3-Dimethyl-nonanoic acid ethyl ester | 3938-86-1

• 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: 3,3-Dimethyl-nonanoic acid ethyl ester
• 英文别名: Ethyl 3,3-dimethylnonanoate
• CAS: 3938-86-1
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: ZOTCPTDHHPCWLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-ethyl 3-methylnon-2-enoate 、 alkaline earth salt of/the/ methylsulfuric acid 在 三甲基氯硅烷 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 6.0h， 以100%的产率得到3,3-Dimethyl-nonanoic acid ethyl ester
  参考文献：
  名称：

  ‘Me2CuLi·TMSCl in CH2Cl2’. The most powerful methylating agent for sterically congested α,β-enoates

  摘要：

  The reaction of Me2CuLi with sterically congested alpha,beta-unsaturated esters in the presence of TMSCl in CH2Cl2 proceeded very smoothly to produce the conjugate addition products in high yields. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)00891-8

文献信息

• Microbiocidally active benzoxaboroles
  申请人：Syngenta Participations AG

  公开号：US10040806B2

  公开（公告）日：2018-08-07

  Compounds of formula (I) are as defined in the claims, and their use in compositions and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.

  式（I）化合物如权利要求书中所定义，它们在控制和/或预防植物微生物感染，特别是真菌感染的组合物和方法中的用途，以及这些化合物的制备工艺。
• NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF
  申请人：S&T Global Inc.

  公开号：US20190151403A1

  公开（公告）日：2019-05-23

  A compound of the Formula (I) is disclosed: (I) or pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification. Also described are a pharmaceutical composition comprising the same and a method for treating or preventing viral infections, inflammation, dry eye, central nervous disorders, cardiovascular diseases, cancer, obesity, diabetes, muscular dystrophy, lung, and liver, and kindey diseases, and hair loss using the same.
• ‘Me2CuLi·TMSCl in CH2Cl2’. The most powerful methylating agent for sterically congested α,β-enoates
  作者：Naoki Asao、Sunyoung Lee、Yoshinori Yamamoto

  DOI：10.1016/s0040-4039(03)00891-8

  日期：2003.5

  The reaction of Me2CuLi with sterically congested alpha,beta-unsaturated esters in the presence of TMSCl in CH2Cl2 proceeded very smoothly to produce the conjugate addition products in high yields. (C) 2003 Elsevier Science Ltd. All rights reserved.