3-methyl-7-oxooctyl 3-methyl-7-oxooctanoate | 1338441-75-0

• 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-methyl-7-oxooctyl 3-methyl-7-oxooctanoate
• 英文别名: (3-methyl-7-oxooctyl) 3-methyl-7-oxooctanoate
• CAS: 1338441-75-0
• 化学式: C₁₈H₃₂O₄
• 分子量: 312.45
• InChiKey: RKEVIIYXCVYADW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  戊二肼 、 3-methyl-7-oxooctyl 3-methyl-7-oxooctanoate 以 1,4-二氧六环 为溶剂， 反应 48.0h， 以54%的产率得到4,8,18,22-tetramethyl-1-oxa-9,10,16,17-tetraazacyclotetracosa-8,17-diene-2,11,15-trione
  参考文献：
  名称：

  Synthesis of macrolides containing an azine or hydrazide fragment via successive tishchenko disproportionation and [1 + 1]-condensation

  摘要：

  Eight potentially useful 15-, 17-, 20-, and 22-25-membered macrolides having an azine or hydrazide fragment were synthesized starting from L-menthol, tetrahydropyran, and 4-methyltetrahydropyran via [1 + 1]-condensation of hydrazine hydrate and some dicarboxylic dihydrazides with 7-oxooctyl 7-oxooctanoate, 3-methyl-7-oxooctyl 3-methyl-7-oxooctanoate, and (3R)-3,7-dimethyl-6-oxooctyl (3R)-3,7-dimethyl-6-oxooctanoate obtained by the Tishchenko reaction from 7-oxo-, 3-methyl-7-oxo, and (3R)-3,7-dimethyl-6-oxooctanals, respectively.

  DOI：

  10.1134/s1070428011090259
• 作为产物：
  描述：

  3-methyl-7-oxo-octanal 在 aluminum isopropoxide 作用下， 以 Petroleum ether 为溶剂， 反应 48.0h， 以72%的产率得到3-methyl-7-oxooctyl 3-methyl-7-oxooctanoate
  参考文献：
  名称：

  Synthesis of macrolides containing an azine or hydrazide fragment via successive tishchenko disproportionation and [1 + 1]-condensation

  摘要：

  Eight potentially useful 15-, 17-, 20-, and 22-25-membered macrolides having an azine or hydrazide fragment were synthesized starting from L-menthol, tetrahydropyran, and 4-methyltetrahydropyran via [1 + 1]-condensation of hydrazine hydrate and some dicarboxylic dihydrazides with 7-oxooctyl 7-oxooctanoate, 3-methyl-7-oxooctyl 3-methyl-7-oxooctanoate, and (3R)-3,7-dimethyl-6-oxooctyl (3R)-3,7-dimethyl-6-oxooctanoate obtained by the Tishchenko reaction from 7-oxo-, 3-methyl-7-oxo, and (3R)-3,7-dimethyl-6-oxooctanals, respectively.

  DOI：

  10.1134/s1070428011090259