(1R,2R)-trans-cyclohexanediol bis-p-dimethylaminohydrocinnamate | 139670-46-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1R,2R)-trans-cyclohexanediol bis-p-dimethylaminohydrocinnamate
• CAS: 139670-46-5
• 化学式: C₂₈H₃₈N₂O₄
• 分子量: 466.621
• InChiKey: RBXYAKOEDUCKAR-CLJLJLNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.78
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  59.08
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4-(二甲基氨基)苯乙醇 在 吡啶 、 4 A molecular sieve 、 硫酸 、 水 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N'-羰基二咪唑 作用下， 以 二甲基亚砜 为溶剂， 反应 4.17h， 生成 (1R,2R)-trans-cyclohexanediol bis-p-dimethylaminohydrocinnamate
  参考文献：
  名称：

  Long-range exciton coupling from dipyrrinone chromophores

  摘要：

  Dipyrrinone chromophores, attached by their acid termini to give (1R,2R)-cyclohexanediol dipropionate and diacetate esters (xanthobilirubinate and nor-xanthobilirubinate, respectively), interact through exciton coupling, as evidenced by intense bisignate circular dichroism Cotton effects for the pigment's long wavelength transition. The bis-xanthobilirubinate exhibits the expected negative exciton chirality (DELTA-epsilon-439max -16, DELTA-epsilon-382max + 22, CH2Cl2) but the bis-norxanthobilirubinate exhibits positive exciton chirality (DELTA-epsilon-420max + 38, DELTA-epsilon-367max -46, CH2Cl2).

  DOI：

  10.1016/s0040-4020(01)80716-x

文献信息

• Long-range exciton coupling from dipyrrinone chromophores
  作者：Young-Seok Byun、D.A. Lightner

  DOI：10.1016/s0040-4020(01)80716-x

  日期：1991.12

  Dipyrrinone chromophores, attached by their acid termini to give (1R,2R)-cyclohexanediol dipropionate and diacetate esters (xanthobilirubinate and nor-xanthobilirubinate, respectively), interact through exciton coupling, as evidenced by intense bisignate circular dichroism Cotton effects for the pigment's long wavelength transition. The bis-xanthobilirubinate exhibits the expected negative exciton chirality (DELTA-epsilon-439max -16, DELTA-epsilon-382max + 22, CH2Cl2) but the bis-norxanthobilirubinate exhibits positive exciton chirality (DELTA-epsilon-420max + 38, DELTA-epsilon-367max -46, CH2Cl2).