2,2'-(((((11R,12R)-1,22-diphenyl-2,9,14,21-tetraoxadocosane-11,12-diyl)bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran) | 866429-88-1

• 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: 2,2'-(((((11R,12R)-1,22-diphenyl-2,9,14,21-tetraoxadocosane-11,12-diyl)bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran)
• CAS: 866429-88-1
• 化学式: C₄₄H₇₀O₁₀
• 分子量: 759.034
• InChiKey: KPCLYYVWVWOTDX-WWYIKPKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.43
• 重原子数：
  54.0
• 可旋转键数：
  33.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  92.3
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2,2'-(((((11R,12R)-1,22-diphenyl-2,9,14,21-tetraoxadocosane-11,12-diyl)bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran) 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 80.0 ℃ 、365.42 kPa 条件下， 反应 77.0h， 生成 6-[[(2R,3R)-3-(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：

  1,4-bis-O-(6-benzyloxyhexyl)-2,3-O-isopropylidene-D-threitol 在 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 54.0h， 生成 2,2'-(((((11R,12R)-1,22-diphenyl-2,9,14,21-tetraoxadocosane-11,12-diyl)bis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran)
  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