Acetic acid 4-((E)-2-cyclohexylcarbamoyl-vinyl)-phenyl ester | 184866-96-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: Acetic acid 4-((E)-2-cyclohexylcarbamoyl-vinyl)-phenyl ester
• 英文别名: [4-[(E)-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenyl] acetate
• CAS: 184866-96-4
• 化学式: C₁₇H₂₁NO₃
• 分子量: 287.359
• InChiKey: FZKBQEICAAWGSC-FMIVXFBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 4-((E)-2-cyclohexylcarbamoyl-vinyl)-phenyl ester 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以81%的产率得到(E)-N-cyclohexyl-3-(4-hydroxyphenyl)acrylamide
  参考文献：
  名称：

  pH-Sensitive exciton chirality chromophore. Solvatochromic effects on circular dichroism spectra

  摘要：

  Diesters (1 and 3) of (1S,2S) and (1R,2R)-cyolohexanediol and diamides (2 and 4) of(1S,2S) and (1R,2R)-diaminocyclohexane with p-hydroxycinnamic acid exhibit intense bisignate circular dichroism spectra in CH3OH: 1 Delta epsilon+55 (323 nm), -34 (287 nm); 2 Delta epsilon+75 (318 nm), -55 (281 nm) and in (CH3)(2)SO: 1 Delta epsilon+53 (328 nm), -33 (292 nm); 2 Delta epsilon+65 (319 nm), -50 (280 nm). Added NaOH causes a bathochromic shift of similar to 50 nm in CH3OH and similar to 80-90 nm in (CH3)(2)SO. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00372-2
• 作为产物：
  描述：

  反式-4-乙酰氧基肉桂酸 在 4-二甲氨基吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 生成 Acetic acid 4-((E)-2-cyclohexylcarbamoyl-vinyl)-phenyl ester
  参考文献：
  名称：

  pH-Sensitive exciton chirality chromophore. Solvatochromic effects on circular dichroism spectra

  摘要：

  Diesters (1 and 3) of (1S,2S) and (1R,2R)-cyolohexanediol and diamides (2 and 4) of(1S,2S) and (1R,2R)-diaminocyclohexane with p-hydroxycinnamic acid exhibit intense bisignate circular dichroism spectra in CH3OH: 1 Delta epsilon+55 (323 nm), -34 (287 nm); 2 Delta epsilon+75 (318 nm), -55 (281 nm) and in (CH3)(2)SO: 1 Delta epsilon+53 (328 nm), -33 (292 nm); 2 Delta epsilon+65 (319 nm), -50 (280 nm). Added NaOH causes a bathochromic shift of similar to 50 nm in CH3OH and similar to 80-90 nm in (CH3)(2)SO. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0957-4166(96)00372-2

文献信息

• pH-Sensitive exciton chirality chromophore. Solvatochromic effects on circular dichroism spectra
  作者：Stefan E. Boiadjiev、David A. Lightner

  DOI：10.1016/0957-4166(96)00372-2

  日期：1996.10

  Diesters (1 and 3) of (1S,2S) and (1R,2R)-cyolohexanediol and diamides (2 and 4) of(1S,2S) and (1R,2R)-diaminocyclohexane with p-hydroxycinnamic acid exhibit intense bisignate circular dichroism spectra in CH3OH: 1 Delta epsilon+55 (323 nm), -34 (287 nm); 2 Delta epsilon+75 (318 nm), -55 (281 nm) and in (CH3)(2)SO: 1 Delta epsilon+53 (328 nm), -33 (292 nm); 2 Delta epsilon+65 (319 nm), -50 (280 nm). Added NaOH causes a bathochromic shift of similar to 50 nm in CH3OH and similar to 80-90 nm in (CH3)(2)SO. Copyright (C) 1996 Elsevier Science Ltd