[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 22-acetyl-5,17-dichloro-2,8,14,20-tetraoxa-4,6,16,18,26,28-hexazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-11-carboxylate | 957473-31-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 22-acetyl-5,17-dichloro-2,8,14,20-tetraoxa-4,6,16,18,26,28-hexazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-11-carboxylate
• CAS: 957473-31-3
• 化学式: C₃₁H₂₈Cl₂N₆O₇
• 分子量: 667.505
• InChiKey: VUEDNRQDRLSHII-LDLFBNOTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 22-acetyl-5,17-dichloro-2,8,14,20-tetraoxa-4,6,16,18,26,28-hexazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-11-carboxylate 、 1,14-二氨基-3,6,9,12-四氧杂十四烷 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 以63%的产率得到
  参考文献：
  名称：

  En route to inherently chiral tetraoxacalix[2]arene[2]triazines

  摘要：

  This paper describes our attempts to synthesize inherently chiral heteroatom-bridged calixaromatics. Based on a stepwise fragment-coupling approach using a chiral 3,5-dihydroxybenzamide or benzoate, 2,4-dihydroxyacetophenone, and cyanuric chloride as reactants, chiral tetraoxacalix[2]arene[2]triazine derivatives 16 and 17 were synthesized in good yields. Subsequent macrocyclic condensation with a diamine 6 furnished efficiently the pairs of diastereomers of inherently chiral tetraoxacalix[2]arene[2]triazine azacrowns 18 and 19. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.129
• 作为产物：
  描述：

  3,5-二羟基苯甲酸 在 4-二甲氨基吡啶 、 sodium hydroxide 、 乙醇 、 硫酸 、 4-甲基苯磺酸吡啶 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 87.0h， 生成 [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 22-acetyl-5,17-dichloro-2,8,14,20-tetraoxa-4,6,16,18,26,28-hexazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-11-carboxylate
  参考文献：
  名称：

  En route to inherently chiral tetraoxacalix[2]arene[2]triazines

  摘要：

  This paper describes our attempts to synthesize inherently chiral heteroatom-bridged calixaromatics. Based on a stepwise fragment-coupling approach using a chiral 3,5-dihydroxybenzamide or benzoate, 2,4-dihydroxyacetophenone, and cyanuric chloride as reactants, chiral tetraoxacalix[2]arene[2]triazine derivatives 16 and 17 were synthesized in good yields. Subsequent macrocyclic condensation with a diamine 6 furnished efficiently the pairs of diastereomers of inherently chiral tetraoxacalix[2]arene[2]triazine azacrowns 18 and 19. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.129

文献信息

• En route to inherently chiral tetraoxacalix[2]arene[2]triazines
  作者：Bao-Yong Hou、Qi-Yu Zheng、De-Xian Wang、Mei-Xiang Wang

  DOI：10.1016/j.tet.2007.05.129

  日期：2007.10

  This paper describes our attempts to synthesize inherently chiral heteroatom-bridged calixaromatics. Based on a stepwise fragment-coupling approach using a chiral 3,5-dihydroxybenzamide or benzoate, 2,4-dihydroxyacetophenone, and cyanuric chloride as reactants, chiral tetraoxacalix[2]arene[2]triazine derivatives 16 and 17 were synthesized in good yields. Subsequent macrocyclic condensation with a diamine 6 furnished efficiently the pairs of diastereomers of inherently chiral tetraoxacalix[2]arene[2]triazine azacrowns 18 and 19. (C) 2007 Elsevier Ltd. All rights reserved.