4,7-二甲基二苯并[c,e][1,2]二噻英 | 190841-65-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 中文名称: 4,7-二甲基二苯并[c,e][1,2]二噻英
• 英文名称: 4,7-Dimethyl-dibenzo[1,2]dithiine
• 英文别名: 4,7-Dimethyldibenzo[c,e][1,2]dithiine；4,7-dimethylbenzo[c][1,2]benzodithiine
• CAS: 190841-65-7
• 化学式: C₁₄H₁₂S₂
• 分子量: 244.381
• InChiKey: QSLUTGSMTKCFNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,3'-二甲基-2,2'-联苯基二硫代l 在 air 作用下， 以100%的产率得到4,7-二甲基二苯并[c,e][1,2]二噻英
  参考文献：
  名称：

  Synthesis of Structurally Modified Atropisomeric Biaryl Dithiols. Observations on the Newman-Kwart Rearrangement

  摘要：

  The preparation of a number of biaryldithiols from biaryldiols is discussed. A key reaction is the Newman-Kwart thermorearrangement of bisthiocarbamates and crucial variables of temperature and reaction time have been identified. Alternative approaches to 3,3'-disubstituted dithiols via ortho metallation are presented, The benefit of using such disubstituted compounds is illustrated with representative examples of the stereochemical features of the derived carbanions in reactions with prochiral electrophiles. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00268-8

文献信息

• Synthesis of Structurally Modified Atropisomeric Biaryl Dithiols. Observations on the Newman-Kwart Rearrangement
  作者：Sergio Cossu、Ottorino De Lucchi、Davide Fabbri、Giovanni Valle、Gavin F. Painter、Robin A.J. Smith

  DOI：10.1016/s0040-4020(97)00268-8

  日期：1997.4

  The preparation of a number of biaryldithiols from biaryldiols is discussed. A key reaction is the Newman-Kwart thermorearrangement of bisthiocarbamates and crucial variables of temperature and reaction time have been identified. Alternative approaches to 3,3'-disubstituted dithiols via ortho metallation are presented, The benefit of using such disubstituted compounds is illustrated with representative examples of the stereochemical features of the derived carbanions in reactions with prochiral electrophiles. (C) 1997 Published by Elsevier Science Ltd.