5,11,17,23-Tetrabromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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 | 386213-94-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-Tetrabromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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: 386213-94-1
• 化学式: C₃₀H₂₄Br₄O₄S₄
• 分子量: 896.398
• InChiKey: FBPCYJFLYWSCLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-碘代丙烷 、 5,11,17,23-Tetrabromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 48.0h， 生成 5,11,17,23-tetrabromo-25,26,27,28-tetrapropoxythiacalix[4]arene
  参考文献：
  名称：

  Upper rim substitution of thiacalix[4]arene

  摘要：

  Upper rim bromination of thiacalix[4]arene has been achieved for the first time using a distally disubstituted thiacalix[4]arene as a starting material. Depending on the bromine:thiacalix[4]arene ratios, the corresponding dibromo- and tetrabromo derivatives were obtained which opens the door for subsequent derivatisation of the upper rim of thiacalix[4]arenes. Interestingly, direct bromination of tetraalkylated compounds did not yield brominated derivatives. The structure of the tetrabromo derivative in the 1.3-alternative conformation was proven by X-ray crystallography. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01461-7
• 作为产物：
  描述：

  25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiacalix[4]arene 在 溴 、 potassium carbonate 作用下， 以 氯仿 、 丙酮 为溶剂， 反应 24.0h， 生成 5,11,17,23-Tetrabromo-26,28-dipropoxy-2,8,14,20-tetrathiapentacyclo[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
  参考文献：
  名称：

  Upper rim substitution of thiacalix[4]arene

  摘要：

  Upper rim bromination of thiacalix[4]arene has been achieved for the first time using a distally disubstituted thiacalix[4]arene as a starting material. Depending on the bromine:thiacalix[4]arene ratios, the corresponding dibromo- and tetrabromo derivatives were obtained which opens the door for subsequent derivatisation of the upper rim of thiacalix[4]arenes. Interestingly, direct bromination of tetraalkylated compounds did not yield brominated derivatives. The structure of the tetrabromo derivative in the 1.3-alternative conformation was proven by X-ray crystallography. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01461-7

文献信息

• Upper rim substitution of thiacalix[4]arene
  作者：Pavel Lhoták、Michal Himl、Ivan Stibor、Jan Sykora、Ivana Cisarová

  DOI：10.1016/s0040-4039(01)01461-7

  日期：2001.10

  Upper rim bromination of thiacalix[4]arene has been achieved for the first time using a distally disubstituted thiacalix[4]arene as a starting material. Depending on the bromine:thiacalix[4]arene ratios, the corresponding dibromo- and tetrabromo derivatives were obtained which opens the door for subsequent derivatisation of the upper rim of thiacalix[4]arenes. Interestingly, direct bromination of tetraalkylated compounds did not yield brominated derivatives. The structure of the tetrabromo derivative in the 1.3-alternative conformation was proven by X-ray crystallography. (C) 2001 Elsevier Science Ltd. All rights reserved.