6,13,20,27,34,41-Hexatert-butylheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25,27,29(45),32,34,36(44),39,41-octadecaen-2,9,16,23,30,37-hexayne | 315230-41-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 6,13,20,27,34,41-Hexatert-butylheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25,27,29(45),32,34,36(44),39,41-octadecaen-2,9,16,23,30,37-hexayne
• 英文别名: 6,13,20,27,34,41-hexatert-butylheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25,27,29(45),32,34,36(44),39,41-octadecaen-2,9,16,23,30,37-hexayne
• CAS: 315230-41-2
• 化学式: C₇₂H₇₂
• 分子量: 937.364
• InChiKey: XNKJSFJYTUVMJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.2
• 重原子数：
  72
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Os₃(CO)₁₀(NCMe)₂ 、 6,13,20,27,34,41-Hexatert-butylheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25,27,29(45),32,34,36(44),39,41-octadecaen-2,9,16,23,30,37-hexayne 以 二氯甲烷 为溶剂， 以11%的产率得到
  参考文献：
  名称：

  Structural Characterization of a Cyclohexamericmeta-Phenyleneethynylene Made by Alkyne Metathesis with In Situ Catalysts

  摘要：

  DOI：

  10.1002/1521-3773(20001016)39:20<3607::aid-anie3607>3.0.co;2-s
• 作为产物：
  描述：

  1,3-二溴-5-(1,1-二甲基乙基)苯 在 四(三苯基膦)钯 、 对硝基苯酚 、 molybdenum triamide 、 zinc dibromide 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 生成 6,13,20,27,34,41-Hexatert-butylheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11(47),12,14,18(46),19,21,25,27,29(45),32,34,36(44),39,41-octadecaen-2,9,16,23,30,37-hexayne
  参考文献：
  名称：

  Arylene Ethynylene Macrocycles Prepared by Precipitation-Driven Alkyne Metathesis

  摘要：

  A convenient, multigram-scale synthesis of arylene ethynylene macrocycles near room temperature is described. Driven by the precipitation of a diarylacetylene byproduct, alkyne metathesis produces the desired macrocycles in one step from monomers in high yields.

  DOI：

  10.1021/ja046531v

文献信息

• Arylene Ethynylene Macrocycles Prepared by Precipitation-Driven Alkyne Metathesis
  作者：Wei Zhang、Jeffrey S. Moore

  DOI：10.1021/ja046531v

  日期：2004.10.1

  A convenient, multigram-scale synthesis of arylene ethynylene macrocycles near room temperature is described. Driven by the precipitation of a diarylacetylene byproduct, alkyne metathesis produces the desired macrocycles in one step from monomers in high yields.
• Structural Characterization of a Cyclohexamericmeta-Phenyleneethynylene Made by Alkyne Metathesis with In Situ Catalysts
  作者：Ping-Hua Ge、Wei Fu、Wolfgang A. Herrmann、Eberhardt Herdtweck、Charles Campana、Richard D. Adams、Uwe H. F. Bunz

  DOI：10.1002/1521-3773(20001016)39:20<3607::aid-anie3607>3.0.co;2-s

  日期：2000.10.16