dibenzothiophene-4-carbonyl chloride | 500589-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: dibenzothiophene-4-carbonyl chloride
• 英文别名: Dibenzothiophen-4-carbonylchlorid
• CAS: 500589-01-5
• 化学式: C₁₃H₇ClOS
• 分子量: 246.717
• InChiKey: AQYYDQUSYCLYOG-UHFFFAOYSA-N

物化性质

• 熔点：
  156-157 °C
• 沸点：
  407.5±18.0 °C(Predicted)
• 密度：
  1.421±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dibenzothiophene-4-carbonyl chloride 在 1,4-二氧六环 、 ammonium hydroxide 、 sodium hypobromide 、 sodium carbonate 作用下， 生成 二苯并[B,D]噻吩-4-胺
  参考文献：
  名称：

  The Oxidation of Dibenzothiophene and Phenoxathiin with Hydrogen Peroxide

  摘要：

  DOI：

  10.1021/ja01128a046
• 作为产物：
  描述：

  二苯并噻吩-4-羧酸 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 氯仿 为溶剂， 反应 2.5h， 以93%的产率得到dibenzothiophene-4-carbonyl chloride
  参考文献：
  名称：

  Synthesis of new sulfur-containing oxazoline ligands and their use in palladium-catalyzed allylic substitution

  摘要：

  New chiral sulfur-containing ligands have been prepared and fully characterized. Their structure includes a dibenzothiophene or benzothiophene ring as backbone, where the sulfur atom is enclosed in a strong pi-donor structure. The chirality was introduced by oxazoline moieties placed near the sulfur atom. These ligands have been successfully tested in asymmetric palladium-catalyzed allylic substitutions leading to products with ee of up to 77%. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(02)00829-7

文献信息

• Some Heterocyclic Acetic Acids in Plant Hormone Tests
  作者：Henry Gilman、S. Avakian

  DOI：10.1021/ja01214a506

  日期：1946.10
• Acheson, R. Morrin; Cooper, Martin W., Journal of the Chemical Society. Perkin transactions I, 1980, p. 1185 - 1193
  作者：Acheson, R. Morrin、Cooper, Martin W.

  DOI：——

  日期：——
• Synthesis of new sulfur-containing oxazoline ligands and their use in palladium-catalyzed allylic substitution
  作者：Arnaud Voituriez、Emmanuelle Schulz

  DOI：10.1016/s0957-4166(02)00829-7

  日期：2003.2

  New chiral sulfur-containing ligands have been prepared and fully characterized. Their structure includes a dibenzothiophene or benzothiophene ring as backbone, where the sulfur atom is enclosed in a strong pi-donor structure. The chirality was introduced by oxazoline moieties placed near the sulfur atom. These ligands have been successfully tested in asymmetric palladium-catalyzed allylic substitutions leading to products with ee of up to 77%. (C) 2003 Elsevier Science Ltd. All rights reserved.
• The Oxidation of Dibenzothiophene and Phenoxathiin with Hydrogen Peroxide
  作者：Henry Gilman、Donald L. Esmay

  DOI：10.1021/ja01128a046

  日期：1952.4