(4-chlorophenyl){7-[(E)-phenyldiazenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}methanone | 1018048-49-1

• 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: (4-chlorophenyl){7-[(E)-phenyldiazenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}methanone
• 英文别名: (4-chlorophenyl)-(6-phenyldiazenyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone
• CAS: 1018048-49-1
• 化学式: C₂₁H₁₅ClN₂O₃
• mdl: MFCD09965170
• 分子量: 378.815
• InChiKey: IQEHWZXPBCZVJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  60.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-chlorophenyl){7-[(E)-phenyldiazenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}methanone 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以95%的产率得到4'-chloro-4,5-ethylenedioxy-2-phenylazobenzhydrol
  参考文献：
  名称：

  A new effective route for the synthesis of substituted 2h-indazoles

  摘要：

  A two-stage synthesis of 2H-indazoles has been established, based on consecutive reactions of reduction of 2-alkyl-, 2-cyclopropyl-, and 2-arylcarbonylazobenzenes to phenylazo-substituted benzyl alcohols and intramolecular heterocyclization of the reduction products under the influence of organic acids.

  DOI：

  10.1007/s10593-010-0409-1
• 作为产物：
  描述：

  6-amino-7-(4-chlorobenzoyl)-1,4-benzodioxane 、 亚硝基苯 在 溶剂黄146 作用下， 反应 8.0h， 以52%的产率得到(4-chlorophenyl){7-[(E)-phenyldiazenyl]-2,3-dihydro-1,4-benzodioxin-6-yl}methanone
  参考文献：
  名称：

  A new effective route for the synthesis of substituted 2h-indazoles

  摘要：

  A two-stage synthesis of 2H-indazoles has been established, based on consecutive reactions of reduction of 2-alkyl-, 2-cyclopropyl-, and 2-arylcarbonylazobenzenes to phenylazo-substituted benzyl alcohols and intramolecular heterocyclization of the reduction products under the influence of organic acids.

  DOI：

  10.1007/s10593-010-0409-1

文献信息

• 2H-indazoles from 2-aminobenzophenones
  作者：S. S. Mochalov、M. I. Khasanov、A. N. Fedotov、E. V. Trofimova

  DOI：10.1007/s10593-008-0020-x

  日期：2008.2
• A new effective route for the synthesis of substituted 2h-indazoles
  作者：S. S. Mochalov、M. I. Khasanov、E. V. Trofimova、A. N. Fedotov、N. S. Zefirov

  DOI：10.1007/s10593-010-0409-1

  日期：2009.10

  A two-stage synthesis of 2H-indazoles has been established, based on consecutive reactions of reduction of 2-alkyl-, 2-cyclopropyl-, and 2-arylcarbonylazobenzenes to phenylazo-substituted benzyl alcohols and intramolecular heterocyclization of the reduction products under the influence of organic acids.