| 157322-90-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• CAS: 157322-90-2
• 化学式: C₄₂H₆₀O₁₃
• 分子量: 772.931
• InChiKey: OCGZXQVGQZHOMS-YQNHHSDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  55.0
• 可旋转键数：
  2.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  149.83
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  在 叔丁基二甲基氯硅烷 、 四丁基氟化铵 作用下， 生成
  参考文献：
  名称：

  Structure–activity relationships of Halichondrin B analogues: modifications at C.30–C.38

  摘要：

  Structurally simplified analogues of halichondrin B were prepared by total synthesis and found to retain potent cell growth inhibitory activity in vitro. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00150-5
• 作为产物：
  描述：

  (1R,3S,5S,7R,8R,10S,11S,12R,16R,19S,20S,21S,22R,23S,24S,25E,30S,33S,36S,38R)-7,21,22,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-11,38-dimethyl-32,39-dimethylidene-4,9,13,40,41,42,43-heptaoxaheptacyclo[34.3.1.116,20.119,23.130,33.03,12.05,10]tritetracont-25-ene-14,27-dione 在 四丁基氟化铵 、 溶剂黄146 、 Amberlite IRA-400 OMe form 、 Rexyn 101 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 49.0h， 以96%的产率得到
  参考文献：
  名称：

  Operationally Simple and Efficient Workup Procedure for TBAF-Mediated Desilylation:  Application to Halichondrin Synthesis

  摘要：

  An operationally simple and efficient workup method for tetrabutylammonium fluoride (TBAF)-mediated t-butyldimethylsilyl (TBS) deprotection has been developed. The procedure includes addition of a sulfonic acid resin and calcium carbonate, followed by filtration and evaporation. This method eliminates the tedious aqueous-phase extraction process to remove excess TBAF and materials derived from TBAF, thereby making the protocol highly amenable to multiple TBS deprotections. Its efficiency and usefulness were demonstrated by using the transformation of 1a to 3a in the halichondrin synthesis.

  DOI：

  10.1021/ol063113h

文献信息

• WO2016/179607
  申请人：——

  公开号：——

  公开（公告）日：——