trans-1,3,5-cyclohexane tricarboxylic acid chloride | 206647-40-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: trans-1,3,5-cyclohexane tricarboxylic acid chloride
• 英文别名: 1,3,5-cyclohexantricarboxylic acid trichloride
• CAS: 206647-40-7
• 化学式: C₉H₉Cl₃O₃
• 分子量: 271.528
• InChiKey: HIZMBMVNMBMUEE-KXGDERBTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  51.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  叔辛胺 、 trans-1,3,5-cyclohexane tricarboxylic acid chloride 生成
  参考文献：
  名称：

  A cyclohexane spacer for phosphate receptors

  摘要：

  A cyclohexane tricarboxylic acid is shown to be a good spacer for phosphate guests. The combination of 8-aminochromenone-2-carboxamide groups with the cyclohexane spacer leads to a versatile receptor which sets six hydrogen bonds with either phosphonic acids or phosphates. Large association constants are obtained for this receptor in DMSO and methanol when tetraalkylammonium phosphates are used as guests.

  DOI：

  10.1016/0040-4039(95)00458-o
• 作为产物：
  描述：

  trans-1,3,5-cyclohexane tricarboxylic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以100%的产率得到trans-1,3,5-cyclohexane tricarboxylic acid chloride
  参考文献：
  名称：

  The activated core approach to combinatorial chemistry: A selection of new core molecules

  摘要：

  Four new activated core molecules suitable for use in solution-phase combinatorial organic chemistry have been prepared. These molecules represent an attempt to further explore shape-space and increase the structural diversity of prepared libraries, as well as to incorporate recognition elements in the cores to increase the chances for interaction with biological targets. Demonstrations of deconvolution strategies used to simplify complex libraries and build individual molecular species based on the cores are also provided. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00139-2