2-(4-bromophenyl)-1,3-benzothiaphosphole | 1446434-80-5

• 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: 2-(4-bromophenyl)-1,3-benzothiaphosphole
• 英文别名: 2-(4-Bromophenyl)-1,3-benzothiaphosphole
• CAS: 1446434-80-5
• 化学式: C₁₃H₈BrPS
• 分子量: 307.15
• InChiKey: RHCVEYZKRSJPAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 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：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  diisopropyl (2-mercaptophenyl)phosphonate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 2-(4-bromophenyl)-1,3-benzothiaphosphole
  参考文献：
  名称：

  Synthetic Tuning of Electronic and Photophysical Properties of 2-Aryl-1,3-Benzothiaphospholes

  摘要：

  A series of 2-aryl-1,3-benzothiaphospholes have been synthesized from 1-mercapto-2-phosphinobenzene and a variety of acid chlorides. The structure of 2-phenyl-1,3-benzothiaphosphole was established using X-ray diffraction. The electrochemical and photophysical properties of each benzothiaphosphole are reported and some of these molecules exhibit reversible 1-electron reductions.

  DOI：

  10.1021/jo400947u

文献信息

• Synthetic Tuning of Electronic and Photophysical Properties of 2-Aryl-1,3-Benzothiaphospholes
  作者：Joshua C. Worch、Danielle N. Chirdon、Andrew B. Maurer、Yunyan Qiu、Steven J. Geib、Stefan Bernhard、Kevin J. T. Noonan

  DOI：10.1021/jo400947u

  日期：2013.8.2

  A series of 2-aryl-1,3-benzothiaphospholes have been synthesized from 1-mercapto-2-phosphinobenzene and a variety of acid chlorides. The structure of 2-phenyl-1,3-benzothiaphosphole was established using X-ray diffraction. The electrochemical and photophysical properties of each benzothiaphosphole are reported and some of these molecules exhibit reversible 1-electron reductions.