1,2-bis(propylthio)benzene | 87453-67-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,2-bis(propylthio)benzene
• 英文别名: o-Bis-propylthiobenzene；1,2-Bis(propylsulfanyl)benzene
• CAS: 87453-67-6
• 化学式: C₁₂H₁₈S₂
• 分子量: 226.407
• InChiKey: PPIRURJVDBXEIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  112-115 °C(Press: 3 Torr)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  N-溴代丁二酰亚胺(NBS) 以80%的产率得到
  参考文献：
  名称：

  MURSAKULOV, I. G.;RAMAZANOV, EH. A.;KERIMOV, F. F.;ABBASOV, I. M.;ZEFIROV+, ZH. ORGAN. XIMII, 26,(1990) N, S. 134-138

  摘要：

  DOI：

文献信息

• Process for the nucleophilic substitution of unactivated aromatic and
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04683091A1

  公开（公告）日：1987-07-28

  The nucleophilic substitution upon unactivated monocyclic or polycyclic aromatic or heteroaromatic substrates bearing suitable leaving groups can be achieved by catalyzing the substitution of said leaving groups by an anionic nucleophile with a cyclic or acyclic polydentate chelating ligand. Specific products of this reaction can be used in preparing sulfonylurea herbicides.

  未活化的单环或多环芳香族或杂环底物上的亲核取代反应，其带有适当离去基团，可以通过使用环状或非环状多齿螯合配体催化该离去基团被阴离子亲核试剂取代而实现。该反应的具体产物可用于制备磺酰脲类除草剂。
• Process for the nucleophilic substitution of unactivated aromatic and heteroaromatic substrates
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0094821A1

  公开（公告）日：1983-11-23

  A process for achieving nucleophilic substitution upon an unactivated monocyclic or polycyclic aromatic or heteroaromatic substrate bearing a suitable leaving group comprising the substitution of said leaving group by an anionic nucleophile is catalyzed with a cyclic or acyclic polydentate chelating ligand, e.g. a crown ether or a cyclic polyether. The process is applicable, inter alia, as the first step in the preparation of ortho-substituted benzenesulfonyl chloride derivatives, or ortho-benzenedithiol, from ortho-dichlorobenzene.

  一种在带有适当离去基团的未活化单环或多环芳香族或杂芳族底物上实现亲核取代的工艺，包括在环状或无环多齿螯合配体（例如冠醚或环状聚醚）的催化下用阴离子亲核剂取代所述离去基团。该工艺尤其适用于从邻二氯苯制备邻取代苯磺酰氯衍生物或邻苯二硫醇的第一步。
• Metallation reactions. XXVI. α,α′-Dimetallation of 1,2-bis(methylthiobenzene)
  作者：M.G. Cabiddu、S. Cabiddu、E. Cadoni、S. De Montis、C. Fattuoni、S. Melis、F. Sotgiu

  DOI：10.1016/s0040-4020(99)00873-x

  日期：1999.12

  alpha,alpha'-Dimetallation of bis(methylthio)benzene (1) with butyllithium or with superbases gives 2 with good yield. This species allows the simultaneous introduction of two electrophiles in thiomethyl groups. Alternatively it was possible to functionalize these groups with two different electrophiles by two successive one-flask monometallations. Compound 2 rise to gives heterocyclic compounds. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Mursakulov, I. G.; Ramazanov, E. A.; Kerimov, F. F., Journal of Organic Chemistry USSR (English Translation), 1990, vol. 26, # 1.2, p. 113 - 116
  作者：Mursakulov, I. G.、Ramazanov, E. A.、Kerimov, F. F.、Abbasov, I. M.、Zefirov, N. S.

  DOI：——

  日期：——
• US4683091A
  申请人：——

  公开号：US4683091A

  公开（公告）日：1987-07-28