11,23-Bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol | 129492-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11,23-Bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol
• 英文别名: 11,23-bis(chloromethyl)-5,17-di-tert-butyl-25,27-dihydroxy-26,28-diethoxycalix[4]arene；11,23-Bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol；5,17-Ditert-butyl-11,23-bis(chloromethyl)-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
• CAS: 129492-31-5
• 化学式: C₄₀H₄₆Cl₂O₄
• 分子量: 661.709
• InChiKey: XCYNPXRCNDNFAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,17-di-tert-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene 、 11,23-Bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol 在 zinc(II) chloride 作用下， 以 氯仿 为溶剂， 反应 3.0h， 以46%的产率得到
  参考文献：
  名称：

  Macrocyclic, linear and starlike assemblies of calix[4]arenes covalently bridged by methylenes at the upper rims: simple route to novel receptors with defined polycavities

  摘要：

  Chloromethylation of 5,17-di-tert-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene with chloromethyl methyl ether in the presence of zinc chloride led to the formation of macrocyclic and linear oligomers containing three to five calix[4]arenes bridged via methylenes at the upper rims. Under the identical conditions, however, 5,17-di-tert-amyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene was converted into a mixture of linear dimer and trimer in yields of 39.5 and 34%, respectively. Only dimer was obtained as the sole product in 41% yield when 25,27-dihydroxy-26,28-diethoxycalix[4]arene was used. Efficient synthesis of linear or starlike polycalixarenes was achieved utilizing the Friedel-Crafts reaction of debutylated or partially debutylated calix[4]arenes with chloromethylated calix[4]arene promoted by anhydrous zinc chloride. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00342-3
• 作为产物：
  描述：

  1,3-二甲氧基-4-叔丁基杯芳烃 在 三氯化铝 、 四氯化锡 作用下， 以 氯仿 、 甲苯 为溶剂， 反应 5.0h， 生成 11,23-Bis(chloromethyl)-5,17-bis(1,1-dimethylethyl)-26,28-dimethoxypentacyclo<19.3.1.1^3,7.1^9,13.1^15,19>octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol
  参考文献：
  名称：

  Selective functionalization of calix[4]arenes at the upper rim

  摘要：

  DOI：

  10.1021/jo00308a024

文献信息

• VAN, LOON JAN-DIRK;ARDUINI, ARTURO;COPPI, LAURA;VERBOOM, WILLEM;POCHINI, +, J. ORG. CHEM., 55,(1990) N1, C. 5639-5646
  作者：VAN, LOON JAN-DIRK、ARDUINI, ARTURO、COPPI, LAURA、VERBOOM, WILLEM、POCHINI, +

  DOI：——

  日期：——