N-苯基-2,4,6-三氯苯胺 | 15362-44-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-苯基-2,4,6-三氯苯胺
• 英文名称: phenyl-(2,4,6-trichloro-phenyl)-amine
• 英文别名: Phenyl-(2,4,6-trichlor-phenyl)-amin；2.4.6-Trichlor-diphenylamin；2,4,6-trichloro-N-phenylaniline
• CAS: 15362-44-4
• 化学式: C₁₂H₈Cl₃N
• 分子量: 272.561
• InChiKey: HLNRCXQIZGIJSU-UHFFFAOYSA-N

物化性质

• 熔点：
  43-44 °C
• 沸点：
  332.7±42.0 °C(Predicted)
• 密度：
  1.424±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-苯基-2,4,6-三氯苯胺 在 吡啶 、 三氯化铝 、 sodium chloride 作用下， 反应 12.5h， 生成 1-(2,4,6-trichlorophenyl)-3H-indol-2-one
  参考文献：
  名称：

  A Convenient Preparation of N-Alkyl and N-Arylamines by Smiles Rearrangement—Synthesis of Analogues of Diclofenac

  摘要：

  Smiles rearrangement of substituted aryloxyacetamides in which oxygen and-nitrogen are separated by COCH2 group has been successful even when the aryloxy ring carries weak or no electron withdrawing group. Earlier reports of such reactions involved either strong electron withdrawing groups or a special catalyst. The diphenylamines thus obtained gave analogues of diclofenac in only one case.

  DOI：

  10.1081/scc-120021996
• 作为产物：
  描述：

  2,4,6-涕 在 氯化亚砜 、 sodium ethanolate 作用下， 以 乙醇 、 苯 为溶剂， 反应 0.5h， 生成 N-苯基-2,4,6-三氯苯胺
  参考文献：
  名称：

  A Convenient Preparation of N-Alkyl and N-Arylamines by Smiles Rearrangement—Synthesis of Analogues of Diclofenac

  摘要：

  Smiles rearrangement of substituted aryloxyacetamides in which oxygen and-nitrogen are separated by COCH2 group has been successful even when the aryloxy ring carries weak or no electron withdrawing group. Earlier reports of such reactions involved either strong electron withdrawing groups or a special catalyst. The diphenylamines thus obtained gave analogues of diclofenac in only one case.

  DOI：

  10.1081/scc-120021996

文献信息

• Chapman, Journal of the Chemical Society, 1929, p. 571
  作者：Chapman

  DOI：——

  日期：——
• Method for producing of polyarylene sulfides
  申请人：IDEMITSU PETROCHEMICAL CO. LTD.

  公开号：EP0215312B1

  公开（公告）日：1992-03-25
• US4810773A
  申请人：——

  公开号：US4810773A

  公开（公告）日：1989-03-07
• A Convenient Preparation of <i>N</i>-Alkyl and <i>N</i>-Arylamines by Smiles Rearrangement—Synthesis of Analogues of Diclofenac
  作者：M. S. Wadia、D. V. Patil

  DOI：10.1081/scc-120021996

  日期：2003.1.8

  Smiles rearrangement of substituted aryloxyacetamides in which oxygen and-nitrogen are separated by COCH2 group has been successful even when the aryloxy ring carries weak or no electron withdrawing group. Earlier reports of such reactions involved either strong electron withdrawing groups or a special catalyst. The diphenylamines thus obtained gave analogues of diclofenac in only one case.