2,2-Dimethyl-propionic acid (3S,5S,9S,11S)-3,11-bis-benzyloxy-5-(tert-butyl-dimethyl-silanyloxy)-9-hydroxy-13-(4-methoxy-phenoxy)-5-methyl-7-oxo-tridecyl ester | 209340-29-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-Dimethyl-propionic acid (3S,5S,9S,11S)-3,11-bis-benzyloxy-5-(tert-butyl-dimethyl-silanyloxy)-9-hydroxy-13-(4-methoxy-phenoxy)-5-methyl-7-oxo-tridecyl ester
• 英文别名: [(3S,5S,9S,11S)-5-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-13-(4-methoxyphenoxy)-5-methyl-7-oxo-3,11-bis(phenylmethoxy)tridecyl] 2,2-dimethylpropanoate
• CAS: 209340-29-4
• 化学式: C₄₆H₆₈O₉Si
• 分子量: 793.126
• InChiKey: IHEHQANCQOBXCS-FSZTYBHDSA-N

物化性质

• 沸点：
  789.366±60.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.069±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.89
• 重原子数：
  56
• 可旋转键数：
  27
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-propionic acid (3S,5S,9S,11S)-3,11-bis-benzyloxy-5-(tert-butyl-dimethyl-silanyloxy)-9-hydroxy-13-(4-methoxy-phenoxy)-5-methyl-7-oxo-tridecyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 15.0h， 生成 2,2-Dimethyl-propionic acid 2-{(2S,4S,6R,8S,10S)-4-(tert-butyl-dimethyl-silanyloxy)-10-hydroxy-8-[2-(4-methoxy-phenoxy)-ethyl]-4-methyl-1,7-dioxa-spiro[5.5]undec-2-yl}-ethyl ester
  参考文献：
  名称：

  Synthetic studies on altohyrtins (spongistatins): Synthesis of the C1C14 (AB) spiroacetal portion

  摘要：

  The C1-C14 portion of altohyrtins (spongistatins) was prepared in a convergent manner from 3,4,6-tri-O-acetyl-D-glucal via a chelation-controlled methylation of ketone, dithiane couplings with epoxides, and a thermodynamically-controlled spiroacetalization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00619-4
• 作为产物：
  描述：

  2,2-Dimethyl-propionic acid (3S,5S)-3-benzyloxy-6-{2-[(2S,4S)-4-benzyloxy-2-hydroxy-6-(4-methoxy-phenoxy)-hexyl]-[1,3]dithian-2-yl}-5-(tert-butyl-dimethyl-silanyloxy)-5-methyl-hexyl ester 在 mercury(II) perchlorate 、 calcium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.17h， 生成 2,2-Dimethyl-propionic acid (3S,5S,9S,11S)-3,11-bis-benzyloxy-5-(tert-butyl-dimethyl-silanyloxy)-9-hydroxy-13-(4-methoxy-phenoxy)-5-methyl-7-oxo-tridecyl ester
  参考文献：
  名称：

  Synthetic studies on altohyrtins (spongistatins): Synthesis of the C1C14 (AB) spiroacetal portion

  摘要：

  The C1-C14 portion of altohyrtins (spongistatins) was prepared in a convergent manner from 3,4,6-tri-O-acetyl-D-glucal via a chelation-controlled methylation of ketone, dithiane couplings with epoxides, and a thermodynamically-controlled spiroacetalization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00619-4