2,6-bis(propylthio)chlorobenzene

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,6-bis(propylthio)chlorobenzene
• 英文别名: 2-Chloro-1,3-bis(propylsulfanyl)benzene；2-chloro-1,3-bis(propylsulfanyl)benzene
• 化学式: C₁₂H₁₇ClS₂
• 分子量: 260.852
• InChiKey: UOFPBAXFBHBYLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  15
• 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：

  1-chloro-2-nitro-6-propylthiobenzene 在 platinum(IV) oxide 盐酸 、 氢气 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 80.0 ℃ 、310.26 kPa 条件下， 反应 0.33h， 生成 2,6-bis(propylthio)chlorobenzene
  参考文献：
  名称：

  Preparation and NMR Analysis of 2,6-Heterodifunctional Halobenzenes as Precursors for Substituted Biphenyls

  摘要：

  Preparation and complete characterization of 16 2,6-disubstituted halobenzenes, including nine new compounds, from two common starting materials is described. Seven of the new compounds contain one or two propylthio groups, which have been introduced in two ways. Direct reaction of arenediazonium salts with 1-propanethiolate gives yields comparable to those obtained in a three-step method through sulfonyl chlorides. The H-1- and C-13 NMR chemical shifts of 17 1,2,3-trisubstituted benzenes have been correlated with the predicted values and the observed trends explained using commonly available modeling packages. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01019-4

文献信息

• Preparation and NMR Analysis of 2,6-Heterodifunctional Halobenzenes as Precursors for Substituted Biphenyls
  作者：Monika Sienkowska、Vladimir Benin、Piotr Kaszynski

  DOI：10.1016/s0040-4020(99)01019-4

  日期：2000.1

  Preparation and complete characterization of 16 2,6-disubstituted halobenzenes, including nine new compounds, from two common starting materials is described. Seven of the new compounds contain one or two propylthio groups, which have been introduced in two ways. Direct reaction of arenediazonium salts with 1-propanethiolate gives yields comparable to those obtained in a three-step method through sulfonyl chlorides. The H-1- and C-13 NMR chemical shifts of 17 1,2,3-trisubstituted benzenes have been correlated with the predicted values and the observed trends explained using commonly available modeling packages. (C) 1999 Elsevier Science Ltd. All rights reserved.