heptanoic acid 3-oxo-2-pentylnonyl ester | 82352-17-8

• 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: heptanoic acid 3-oxo-2-pentylnonyl ester
• 英文别名: 2-pentyl-3-oxononyl heptanoate；(3-oxo-2-pentylnonyl) heptanoate
• CAS: 82352-17-8
• 化学式: C₂₁H₄₀O₃
• 分子量: 340.547
• InChiKey: LNJQLBGLQPKXMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.24
• 重原子数：
  24.0
• 可旋转键数：
  17.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  heptanoic acid 3-oxo-2-pentylnonyl ester 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 苯 为溶剂， 反应 6.0h， 以76%的产率得到2-pentyl-non-1-en-3-one
  参考文献：
  名称：

  Organozinc alkoxide-promoted aldol-Tishchenko reaction of aliphatic aldehydes: an expedient entry to prepare the α-methylene ketones

  摘要：

  i-PrOZnEt is an excellent reagent to promote the aldol-Tishchenko reaction of the aliphatic aldehydes tethered with other labile functional groups. The 1,3-diol monoesters 4 were formed as the major products, which could be converted to alpha-methylene ketones 7 in two steps in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.076
• 作为产物：
  描述：

  庚醛 在 ethyl zinc isopropanolate 、 4 A molecular sieve 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 heptanoic acid 3-oxo-2-pentylnonyl ester
  参考文献：
  名称：

  Organozinc alkoxide-promoted aldol-Tishchenko reaction of aliphatic aldehydes: an expedient entry to prepare the α-methylene ketones

  摘要：

  i-PrOZnEt is an excellent reagent to promote the aldol-Tishchenko reaction of the aliphatic aldehydes tethered with other labile functional groups. The 1,3-diol monoesters 4 were formed as the major products, which could be converted to alpha-methylene ketones 7 in two steps in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.076

文献信息

• Glycol ester formation in the Reformatskii reaction
  作者：Jacob J. Plattner、Eva Gawronska、Kenneth L. Rinehart

  DOI：10.1021/jo00139a010

  日期：1982.8
• PLATTNER, J. J.;GAWRONSKA, E.;RINEHART, K. L. ,, JR, J. ORG. CHEM., 1982, 47, N 18, 3440-3442
  作者：PLATTNER, J. J.、GAWRONSKA, E.、RINEHART, K. L. ,, JR

  DOI：——

  日期：——
• Organozinc alkoxide-promoted aldol-Tishchenko reaction of aliphatic aldehydes: an expedient entry to prepare the α-methylene ketones
  作者：Yung-Son Hon、Chun-Ping Chang

  DOI：10.1016/j.tet.2005.03.076

  日期：2005.5

  i-PrOZnEt is an excellent reagent to promote the aldol-Tishchenko reaction of the aliphatic aldehydes tethered with other labile functional groups. The 1,3-diol monoesters 4 were formed as the major products, which could be converted to alpha-methylene ketones 7 in two steps in good yields. (c) 2005 Elsevier Ltd. All rights reserved.