methyl (3S,5S,7S)-3,5-dihydroxy-2,2-dimethyl-7,9-bis(phenylmethoxy)nonanoate | 362623-99-2

• 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: methyl (3S,5S,7S)-3,5-dihydroxy-2,2-dimethyl-7,9-bis(phenylmethoxy)nonanoate
• CAS: 362623-99-2
• 化学式: C₂₆H₃₆O₆
• 分子量: 444.568
• InChiKey: LXKPZPNWFRMKJV-SGNDLWITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl (3S,5S,7S)-3,5-dihydroxy-2,2-dimethyl-7,9-bis(phenylmethoxy)nonanoate 在 正丁基锂 、 四丁基氟化铵 、 对甲苯磺酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-[(4S,6R)-6-[(2S)-2,4-bis(phenylmethoxy)butyl]-2,2-dimethyl-1,3-dioxan-4-yl]-1-[(7R,9R)-7-(methoxymethoxymethyl)-1,4,8-trioxaspiro[4.5]decan-9-yl]-3-methylbutan-2-one
  参考文献：
  名称：

  An approach towards the C1–C16 fragment of antineoplastic macrolide bryostatins by kinetic resolution of a racemic terminal epoxide using Jacobsen's catalyst

  摘要：

  A stero- and enantioselective approach towards the C-1-C-16 fragment of bryostatins is reported rising Jacobsen's catalyst for kinetic resolution of a terminal epoxide, a Horner-Wadsworth-Emmons coupling reaction and a 1,4-Michael type cyclization as key steps. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00841-3
• 作为产物：
  描述：

  异丁酸甲酯 在 四丁基氟化铵 、 溶剂黄146 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 methyl (3S,5S,7S)-3,5-dihydroxy-2,2-dimethyl-7,9-bis(phenylmethoxy)nonanoate
  参考文献：
  名称：

  An approach towards the C1–C16 fragment of antineoplastic macrolide bryostatins by kinetic resolution of a racemic terminal epoxide using Jacobsen's catalyst

  摘要：

  A stero- and enantioselective approach towards the C-1-C-16 fragment of bryostatins is reported rising Jacobsen's catalyst for kinetic resolution of a terminal epoxide, a Horner-Wadsworth-Emmons coupling reaction and a 1,4-Michael type cyclization as key steps. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00841-3

文献信息

• An approach towards the C1–C16 fragment of antineoplastic macrolide bryostatins by kinetic resolution of a racemic terminal epoxide using Jacobsen's catalyst
  作者：J.S Yadav、A Bandyopadhyay、A.C Kunwar

  DOI：10.1016/s0040-4039(01)00841-3

  日期：2001.7

  A stero- and enantioselective approach towards the C-1-C-16 fragment of bryostatins is reported rising Jacobsen's catalyst for kinetic resolution of a terminal epoxide, a Horner-Wadsworth-Emmons coupling reaction and a 1,4-Michael type cyclization as key steps. (C) 2001 Elsevier Science Ltd. All rights reserved.