(2R,3R,11R,12R)-2,3,11,12-tetrakis(6-phenylmethoxyhexoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane | 866429-76-7

• 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: (2R,3R,11R,12R)-2,3,11,12-tetrakis(6-phenylmethoxyhexoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
• CAS: 866429-76-7
• 化学式: C₆₈H₁₀₄O₁₄
• 分子量: 1145.57
• InChiKey: DCAOFEDPRVAUJE-PEBOPEEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  82
• 可旋转键数：
  44
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  (2R,3R,11R,12R)-2,3,11,12-tetrakis(6-phenylmethoxyhexoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以92%的产率得到6-[[(2R,3R,11R,12R)-3,11,12-tris(6-hydroxyhexoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadec-2-yl]methoxy]hexan-1-ol
  参考文献：
  名称：

  Synthesis of chiral 18-crown-6 ethers containing lipophilic chains and their enantiomeric recognition of chiral ammonium picrates

  摘要：

  Four new chiral 18-crown-6 ethers have been prepared to be used in enantiomeric recognition and extraction. The influence of the lipophilic character and bulkiness of the substituents on the complexation of different chiral ammonium picrates in CD3CN has been evaluated. Racemic aqueous solutions of the ammonium salts have been enriched in one enantionter after extraction experiments, and the enantiomeric excesses have been calculated. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.06.039
• 作为产物：
  描述：

  6-(苄氧基)-1-己醇 在 吡啶 、 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 氯仿 为溶剂， 反应 209.0h， 生成 (2R,3R,11R,12R)-2,3,11,12-tetrakis(6-phenylmethoxyhexoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
  参考文献：
  名称：

  Synthesis of chiral 18-crown-6 ethers containing lipophilic chains and their enantiomeric recognition of chiral ammonium picrates

  摘要：

  Four new chiral 18-crown-6 ethers have been prepared to be used in enantiomeric recognition and extraction. The influence of the lipophilic character and bulkiness of the substituents on the complexation of different chiral ammonium picrates in CD3CN has been evaluated. Racemic aqueous solutions of the ammonium salts have been enriched in one enantionter after extraction experiments, and the enantiomeric excesses have been calculated. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.06.039

文献信息

• Synthesis of chiral 18-crown-6 ethers containing lipophilic chains and their enantiomeric recognition of chiral ammonium picrates
  作者：Manuel Colera、Ana M. Costero、Pablo Gaviña、Salvador Gil

  DOI：10.1016/j.tetasy.2005.06.039

  日期：2005.8

  Four new chiral 18-crown-6 ethers have been prepared to be used in enantiomeric recognition and extraction. The influence of the lipophilic character and bulkiness of the substituents on the complexation of different chiral ammonium picrates in CD3CN has been evaluated. Racemic aqueous solutions of the ammonium salts have been enriched in one enantionter after extraction experiments, and the enantiomeric excesses have been calculated. (c) 2005 Elsevier Ltd. All rights reserved.