(3-溴苯基)-(2,3-二氢-1,4-苯并二氧杂芑-7-基)甲酮 | 727419-55-8

• 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: (3-溴苯基)-(2,3-二氢-1,4-苯并二氧杂芑-7-基)甲酮
• 中文别名: (3-溴苯基)(2,3-二氢-1,4-苯并二氧杂环己-6-基)甲酮
• 英文名称: (3-Bromophenyl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
• 英文别名: (3-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
• CAS: 727419-55-8
• 化学式: C₁₅H₁₁BrO₃
• mdl: MFCD05858892
• 分子量: 319.155
• InChiKey: JVBPEABCTRIHPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  (3-溴苯基)-(2,3-二氢-1,4-苯并二氧杂芑-7-基)甲酮 在 硫酸 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]benzamide
  参考文献：
  名称：

  o-Acylbenzonitriles: Synthesis and Heterocyclization under Acid Hydrolysis of the Cyano Group

  摘要：

  2-Cyanobenzophenones were synthesized by reaction of 2-bromobenzophenones with copper(I) cyanide in DMF, and their transformations involving acid hydrolysis of the cyano group were studied. Reactions of o-benzoylbenzonitriles with trifluoroacetic acid in the presence or in the absence of sulfuric acid afforded 3-hydroxyphthalimidines in high yields. Under analogous conditions, benzonitriles having no acyl group in the ortho position were converted to the corresponding benzamides. 2-Cyanobenzophenones reacted with sulfuric acid in the absence of trifluoroacetic acid to give only substituted anthraquinones.

  DOI：

  10.1134/s1070428018030065

文献信息

• o-Acylbenzonitriles: Synthesis and Heterocyclization under Acid Hydrolysis of the Cyano Group
  作者：S. S. Mochalov、A. N. Fedotov、E. V. Trofimova、N. S. Zefirov

  DOI：10.1134/s1070428018030065

  日期：2018.3

  2-Cyanobenzophenones were synthesized by reaction of 2-bromobenzophenones with copper(I) cyanide in DMF, and their transformations involving acid hydrolysis of the cyano group were studied. Reactions of o-benzoylbenzonitriles with trifluoroacetic acid in the presence or in the absence of sulfuric acid afforded 3-hydroxyphthalimidines in high yields. Under analogous conditions, benzonitriles having no acyl group in the ortho position were converted to the corresponding benzamides. 2-Cyanobenzophenones reacted with sulfuric acid in the absence of trifluoroacetic acid to give only substituted anthraquinones.