2,2'-(((1S,1'S)-(((5-bromo-2-methoxy-1,3-phenylene)bis(methylene))bis(oxy))bis(1-phenylethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran) | 666837-01-0

• 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'-(((1S,1'S)-(((5-bromo-2-methoxy-1,3-phenylene)bis(methylene))bis(oxy))bis(1-phenylethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran)
• CAS: 666837-01-0
• 化学式: C₃₅H₄₃BrO₇
• 分子量: 655.626
• InChiKey: JJKZYMMRSPSGLT-UJTVJLQXSA-N

物化性质

• 沸点：
  694.5±55.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.06
• 重原子数：
  43.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  64.61
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2,2'-(((1S,1'S)-(((5-bromo-2-methoxy-1,3-phenylene)bis(methylene))bis(oxy))bis(1-phenylethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran) 在 4-甲基苯磺酸吡啶 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 30.0h， 生成 (5S,13S)-19-bromo-21-methoxy-5,13-diphenyl-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-triene
  参考文献：
  名称：

  Preparation of phenolic chiral crown ethers and podands and their enantiomer recognition ability toward secondary amines

  摘要：

  Phenolic pseudo-24-crown-8 (S,S)-3, pseudo-27-crown-9 (S,S)-4, and podands (R,R)-5 and (R,R)-6 possessing phenyl groups as chiral barriers were prepared and their chiral recognition properties toward secondary neutral amines were examined. Pseudo-24-crown-8 (S,S)-3 and podand (R,R)-5 showed sufficient binding ability and moderate chiral recognition ability toward secondary amines. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00031-4
• 作为产物：
  描述：

  5-溴-1,3-二(溴甲基)-2-甲氧基苯 、 (S)-(+)-2-phenyl-2-(tetrahydropyranyloxy)ethanol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 2,2'-(((1S,1'S)-(((5-bromo-2-methoxy-1,3-phenylene)bis(methylene))bis(oxy))bis(1-phenylethane-2,1-diyl))bis(oxy))bis(tetrahydro-2H-pyran)
  参考文献：
  名称：

  Preparation of phenolic chiral crown ethers and podands and their enantiomer recognition ability toward secondary amines

  摘要：

  Phenolic pseudo-24-crown-8 (S,S)-3, pseudo-27-crown-9 (S,S)-4, and podands (R,R)-5 and (R,R)-6 possessing phenyl groups as chiral barriers were prepared and their chiral recognition properties toward secondary neutral amines were examined. Pseudo-24-crown-8 (S,S)-3 and podand (R,R)-5 showed sufficient binding ability and moderate chiral recognition ability toward secondary amines. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00031-4