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 | 209340-40-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 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
• 英文别名: 2-[(2S,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-8-[2-(4-methoxyphenoxy)ethyl]-4-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]ethyl 2,2-dimethylpropanoate
• CAS: 209340-40-9
• 化学式: C₃₂H₅₄O₈Si
• 分子量: 594.861
• InChiKey: LHBOMYBXVZFDEN-SYZIYUQFSA-N

物化性质

• 沸点：
  629.948±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.094±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.64
• 重原子数：
  41
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  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 在 咪唑 、 二异丁基氢化铝 、 戴斯-马丁氧化剂 作用下， 以 吡啶 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.17h， 生成 {(2R,4S,6R,8S,10S)-4-(tert-Butyl-dimethyl-silanyloxy)-8-[2-(4-methoxy-phenoxy)-ethyl]-4-methyl-10-triethylsilanyloxy-1,7-dioxa-spiro[5.5]undec-2-yl}-acetaldehyde
  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 palladium on activated charcoal mercury(II) perchlorate 、 氢气 、 calcium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 15.17h， 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