1-chloro-3-phenyl-2-propynyl phenyl sulfide | 153940-38-6

• 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-chloro-3-phenyl-2-propynyl phenyl sulfide
• 英文别名: (1-Chloro-3-phenylprop-2-ynyl)sulfanylbenzene
• CAS: 153940-38-6
• 化学式: C₁₅H₁₁ClS
• 分子量: 258.771
• InChiKey: QHMKGYJOADNDSN-UHFFFAOYSA-N

物化性质

• 沸点：
  348.4±37.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-chloro-3-phenyl-2-propynyl phenyl sulfide 在 水 、 copper(II) oxide 、 copper dichloride 作用下， 以 丙酮 为溶剂， 反应 0.02h， 生成 苯丙炔醛
  参考文献：
  名称：

  Synthesis of α-Acetylenic Aldehydes from 2-Acetylenic Phenyl Sulfides

  摘要：

  Monochlorination at the 1 position, with sulfuryl chloride, followed by hydrolysis converted 2-acetylenic phenyl sulfides into 2-acetylenic aldehydes.

  DOI：

  10.1080/00397919308012609
• 作为产物：
  描述：

  phenyl (3-phenylprop-2-yn-1-yl) sulfide 在 吡啶 、 磺酰氯 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以100%的产率得到1-chloro-3-phenyl-2-propynyl phenyl sulfide
  参考文献：
  名称：

  Synthesis of α-Acetylenic Aldehydes from 2-Acetylenic Phenyl Sulfides

  摘要：

  Monochlorination at the 1 position, with sulfuryl chloride, followed by hydrolysis converted 2-acetylenic phenyl sulfides into 2-acetylenic aldehydes.

  DOI：

  10.1080/00397919308012609

文献信息

• Synthesis of α,β-Unsaturated Aldehydes and Methyl Carboxylic Esters from 2-Acetylenic Phenyl Sulfides.
  作者：Fortes, Carlos C.、Garrote, Clevia F. D.

  DOI：10.1080/00397919708005915

  日期：1997.11

  2-Alkynylthio benzenes were reduced to 2-Alkenylthio benzenes with diisobutyl aluminum hydride. Mono chlorination of these compounds with sulfuryl chloride and pyridine followed by hydrolysis, in the presence of Cu-II salts, gave alpha,beta-unsaturated aldehydes.2-Alkynylthio benzenes were converted into 2-Alkynyl 1,1-bis thiobenzenes by monochlorination with sulfuryl chloride and pyridine followed by treatment with thiophenol and triethylamine. These substances were then converted to alpha,beta-unsaturated methyl carboxylic esters by way of isomerization with sodium methoxide to the corresponding allene and treatment with hydrochloric acid and methanolysis in the presence of iodine.
• Synthesis of α-Acetylenic Aldehydes from 2-Acetylenic Phenyl Sulfides
  作者：Carlos C. Fortes、Clévia F. D. Garrote

  DOI：10.1080/00397919308012609

  日期：1993.11

  Monochlorination at the 1 position, with sulfuryl chloride, followed by hydrolysis converted 2-acetylenic phenyl sulfides into 2-acetylenic aldehydes.