isopropyl N-(o-chlorophenyl)-N-benzyl carbamate | 88343-34-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: isopropyl N-(o-chlorophenyl)-N-benzyl carbamate
• 英文别名: Propan-2-yl benzyl(2-chlorophenyl)carbamate；propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
• CAS: 88343-34-4
• 化学式: C₁₇H₁₈ClNO₂
• 分子量: 303.788
• InChiKey: YJSCLYRKRNULNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  isopropyl N-(o-chlorophenyl) carbamate 、 氯化苄 在 苄基三甲基氯化铵 作用下， 以 sodium hydroxide 、 二氯甲烷 为溶剂， 生成 isopropyl N-(o-chlorophenyl)-N-benzyl carbamate
  参考文献：
  名称：

  1H dynamic nuclear magnetic resonance study of hindered rotations inN-aryl-N-benzyl alkyl carbamates

  摘要：

  AbstractThe NMR variable temperature behaviour of a series of N‐aryl‐N‐benzyl alkyl carbamates was investigated. The barrier to rotation about the N‐aryl bond was determined for all the compounds studied. The values obtained, which are in good agreement with those found for structurally related N‐aryl‐N‐benzylamides, are in the range ΔG≠ = 60.7‐89.6kJ mol−1. For some carbamates another conformational phenomenon has been observed, namely the hindered rotation about the carbonyl carbon–nitrogen bond, with a barrier to rotation corresponding to reported values for similar systems.

  DOI：

  10.1002/omr.1270210912

文献信息

• GINEBREDA, A.;JULIA, S.;SANCHO, M.;SALA, P.;ANNUNZIATA, R., AFINIDAD, 1984, 41, N 390, 190-192
  作者：GINEBREDA, A.、JULIA, S.、SANCHO, M.、SALA, P.、ANNUNZIATA, R.

  DOI：——

  日期：——
• 1H dynamic nuclear magnetic resonance study of hindered rotations inN-aryl-N-benzyl alkyl carbamates
  作者：S. Julià、A. Ginebreda、P. Sala、M. Sancho、R. Annunziata、F. Cozzi

  DOI：10.1002/omr.1270210912

  日期：1983.9

  AbstractThe NMR variable temperature behaviour of a series of N‐aryl‐N‐benzyl alkyl carbamates was investigated. The barrier to rotation about the N‐aryl bond was determined for all the compounds studied. The values obtained, which are in good agreement with those found for structurally related N‐aryl‐N‐benzylamides, are in the range ΔG≠ = 60.7‐89.6kJ mol−1. For some carbamates another conformational phenomenon has been observed, namely the hindered rotation about the carbonyl carbon–nitrogen bond, with a barrier to rotation corresponding to reported values for similar systems.