44-Methylidene-10,13,16,19,22,25,36,41-octaoxahexacyclo[32.8.3.02,7.09,42.026,35.028,33]pentatetraconta-1(42),2,4,6,8,26,28,30,32,34-decaene-37,40-dione | 481717-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 44-Methylidene-10,13,16,19,22,25,36,41-octaoxahexacyclo[32.8.3.02,7.09,42.026,35.028,33]pentatetraconta-1(42),2,4,6,8,26,28,30,32,34-decaene-37,40-dione
• CAS: 481717-17-3
• 化学式: C₃₈H₄₀O₁₀
• 分子量: 656.73
• InChiKey: DMXUJFGZXQMUEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-tritylethylene-1,2-diamine 、 44-Methylidene-10,13,16,19,22,25,36,41-octaoxahexacyclo[32.8.3.02,7.09,42.026,35.028,33]pentatetraconta-1(42),2,4,6,8,26,28,30,32,34-decaene-37,40-dione 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以42%的产率得到N,N'-bis[2-(tritylamino)ethyl]butanediamide;3-methylidene-14,17,20,23,26,29-hexaoxapentacyclo[28.7.1.15,13.06,11.032,37]nonatriaconta-1(38),5(39),6,8,10,12,30,32,34,36-decaene-38,39-diol
  参考文献：
  名称：

  通过串联克莱森重排，二酯化和氨解合成轮烷的新方法

  摘要：

  A novel methodology to make rotaxanes via covalent bond formation has been developed. Rotaxanes composed of crownophanes having two phenolic hydroxy groups as a molecular rotor and an axle having diamide moieties were synthesized in moderate yields via three step processes: tandem Claisen rearrangement, intramolecular diesterification, and aminolysis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01201-7
• 作为产物：
  描述：

  丁二酰氯 、 3-Methylidene-14,17,20,23,26,29-hexaoxapentacyclo[28.7.1.15,13.06,11.032,37]nonatriaconta-1(38),5(39),6,8,10,12,30,32,34,36-decaene-38,39-diol 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以62%的产率得到44-Methylidene-10,13,16,19,22,25,36,41-octaoxahexacyclo[32.8.3.02,7.09,42.026,35.028,33]pentatetraconta-1(42),2,4,6,8,26,28,30,32,34-decaene-37,40-dione
  参考文献：
  名称：

  通过串联克莱森重排，二酯化和氨解合成轮烷的新方法

  摘要：

  A novel methodology to make rotaxanes via covalent bond formation has been developed. Rotaxanes composed of crownophanes having two phenolic hydroxy groups as a molecular rotor and an axle having diamide moieties were synthesized in moderate yields via three step processes: tandem Claisen rearrangement, intramolecular diesterification, and aminolysis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)01201-7

文献信息

• A new synthetic method for rotaxanes via tandem Claisen rearrangement, diesterification, and aminolysis
  作者：Kazuhisa Hiratani、Jun-ichi Suga、Yoshinobu Nagawa、Hirohiko Houjou、Hideo Tokuhisa、Munenori Numata、Kunihiro Watanabe

  DOI：10.1016/s0040-4039(02)01201-7

  日期：2002.8

  A novel methodology to make rotaxanes via covalent bond formation has been developed. Rotaxanes composed of crownophanes having two phenolic hydroxy groups as a molecular rotor and an axle having diamide moieties were synthesized in moderate yields via three step processes: tandem Claisen rearrangement, intramolecular diesterification, and aminolysis. (C) 2002 Elsevier Science Ltd. All rights reserved.