O-methyl S-(10-oxo-12,15,18-trioxa-9-azanonadecyl) dimethylmonothiomalonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: O-methyl S-(10-oxo-12,15,18-trioxa-9-azanonadecyl) dimethylmonothiomalonate
• 英文别名: methyl 2,2-dimethyl-3-oxo-3-[(10-oxo-12,15,18-trioxa-9-azanonadecyl)sulfanyl]propanoate；Methyl 3-[8-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]octylsulfanyl]-2,2-dimethyl-3-oxopropanoate；methyl 3-[8-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]octylsulfanyl]-2,2-dimethyl-3-oxopropanoate
• 化学式: C₂₁H₃₉NO₇S
• 分子量: 449.609
• InChiKey: UPBUBZYIOFIRHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  30
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,2-二甲基丙二酸单甲酯 在 1,1-二氯甲醚 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 O-methyl S-(10-oxo-12,15,18-trioxa-9-azanonadecyl) dimethylmonothiomalonate
  参考文献：
  名称：

  Synthesis ofω-Substituted Alkanethiols and (Bromomethyl)methylthiomalonates

  摘要：

  Several multifunctional derivatives of methylthiomalonic acid (= 2-(thiocarboxy)acetic acid), i.e. 20a,b, 21, 22a,b, and 24, were prepared from thiols bearing a functionalized head group, i.e. from 9a,b, 12, and 16d,f (Schemes 4 and 5). The association constants of the two dithio podands 8b and 11 with K+ were determined.

  DOI：

  10.1002/1522-2675(20010321)84:3<678::aid-hlca678>3.0.co;2-y

文献信息

• Synthesis ofω-Substituted Alkanethiols and (Bromomethyl)methylthiomalonates
  作者：Michael J. Pfammatter、Vuk Siljegovic、Tamis Darbre、Reinhart Keese

  DOI：10.1002/1522-2675(20010321)84:3<678::aid-hlca678>3.0.co;2-y

  日期：2001.3.21

  Several multifunctional derivatives of methylthiomalonic acid (= 2-(thiocarboxy)acetic acid), i.e. 20a,b, 21, 22a,b, and 24, were prepared from thiols bearing a functionalized head group, i.e. from 9a,b, 12, and 16d,f (Schemes 4 and 5). The association constants of the two dithio podands 8b and 11 with K+ were determined.