(3R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(4-methoxy-benzyloxy)-7-oxo-heptanethioic acid S-tert-butyl ester | 910046-61-6

• 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: (3R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(4-methoxy-benzyloxy)-7-oxo-heptanethioic acid S-tert-butyl ester
• 英文别名: S-tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-7-oxoheptanethioate
• CAS: 910046-61-6
• 化学式: C₂₅H₄₂O₅SSi
• 分子量: 482.757
• InChiKey: JYVFIBSSOSKAQK-FCHUYYIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  87.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(4-methoxy-benzyloxy)-7-oxo-heptanethioic acid S-tert-butyl ester 、 ((S)-1-allyl-4-methyl-3-tributylstannylmethyl-pent-3-enyloxy)tert-butyldimethylsilane 在 二甲基氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 (3R,5S,7R,11S)-3,11-Bis-(tert-butyl-dimethyl-silanyloxy)-7-hydroxy-5-(4-methoxy-benzyloxy)-8,8-dimethyl-9-methylene-tetradec-13-enethioic acid S-tert-butyl ester 、 (3R,5S,7S,11S)-3,11-Bis-(tert-butyl-dimethyl-silanyloxy)-7-hydroxy-5-(4-methoxy-benzyloxy)-8,8-dimethyl-9-methylene-tetradec-13-enethioic acid S-tert-butyl ester
  参考文献：
  名称：

  Synthetic Studies toward the Bryostatins:  A Substrate-Controlled Approach to the A-Ring

  摘要：

  The synthesis of a C-1 - C-13 A-ring subunit of bryostatin 1 is detailed. The key features of the approach include the convergent fragment assembly with a highly stereoselective construction of the C-7-C-8 bond indicated above.

  DOI：

  10.1021/ol061173h
• 作为产物：
  描述：

  (3R,5S)-3-hydroxy-5-(4-methoxybenzyloxy)oct-7-enethioic acid S-tert-butyl ester 在 2,6-二甲基吡啶 、 臭氧 作用下， 以 二氯甲烷 为溶剂， 反应 1.51h， 生成 (3R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(4-methoxy-benzyloxy)-7-oxo-heptanethioic acid S-tert-butyl ester
  参考文献：
  名称：

  Synthetic Studies toward the Bryostatins:  A Substrate-Controlled Approach to the A-Ring

  摘要：

  The synthesis of a C-1 - C-13 A-ring subunit of bryostatin 1 is detailed. The key features of the approach include the convergent fragment assembly with a highly stereoselective construction of the C-7-C-8 bond indicated above.

  DOI：

  10.1021/ol061173h

文献信息

• Synthetic Studies toward the Bryostatins:  A Substrate-Controlled Approach to the A-Ring
  作者：Gary E. Keck、Dennie S. Welch、Paige K. Vivian

  DOI：10.1021/ol061173h

  日期：2006.8.1

  The synthesis of a C-1 - C-13 A-ring subunit of bryostatin 1 is detailed. The key features of the approach include the convergent fragment assembly with a highly stereoselective construction of the C-7-C-8 bond indicated above.