4-propylphenyl chlorothioformate | 84995-58-4

• 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: 4-propylphenyl chlorothioformate
• 英文别名: Chlor-thioameisensaeure-(4-propyl-phenyl-ester)；chloro-methanethioic acid O-(4-propyl-phenyl) ester；O-(4-propylphenyl) chloromethanethioate
• CAS: 84995-58-4
• 化学式: C₁₀H₁₁ClOS
• 分子量: 214.716
• InChiKey: HGRPYTSJGPFXQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  41.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-propylphenyl chlorothioformate 在 pyridine*BrF3 作用下， 以80%的产率得到1-chlorodifluoromethoxy-4-propylbenzene
  参考文献：
  名称：

  Pyridine•BrF₃, the Missing Link for Clean Fluorinations of Aromatic Derivatives

  摘要：

  This work demonstrates the unique features of the never used before Py center dot BrF3 complex in the field of aromatic organic fluorinations. The main disadvantage of the noncomplexed BrF3 is the fact that usually, in addition to the desired fluorination, a parallel electrophilic aromatic bromination takes place as well. Use of the Py center dot BrF3 complex reduces this electrophilic bromination, which is observed with most reagents based on fluorine and bromine [BrF].

  DOI：

  10.1021/ol3000348
• 作为产物：
  描述：

  4-丙基苯酚 、 硫光气 在 sodium hydroxide 作用下， 以 氯仿 为溶剂， 生成 4-propylphenyl chlorothioformate
  参考文献：
  名称：

  THE PREPARATION OF SUBSTITUTED THIONOCARBAMATES

  摘要：

  描述了一系列取代硫代氨基甲酸酯的制备和性质。

  DOI：

  10.1139/v60-278

文献信息

• THE PREPARATION OF SUBSTITUTED THIONOCARBAMATES
  作者：A. F. McKay、D. L. Garmaise、G. Y. Paris、S. Gelblum、R. J. Ranz

  DOI：10.1139/v60-278

  日期：1960.11.1

  The preparations and properties of a number of substituted thionocarbamates are described.

  描述了一系列取代硫代氨基甲酸酯的制备和性质。
• Pyridine•BrF₃, the Missing Link for Clean Fluorinations of Aromatic Derivatives
  作者：Youlia Hagooly、Shlomo Rozen

  DOI：10.1021/ol3000348

  日期：2012.2.17

  This work demonstrates the unique features of the never used before Py center dot BrF3 complex in the field of aromatic organic fluorinations. The main disadvantage of the noncomplexed BrF3 is the fact that usually, in addition to the desired fluorination, a parallel electrophilic aromatic bromination takes place as well. Use of the Py center dot BrF3 complex reduces this electrophilic bromination, which is observed with most reagents based on fluorine and bromine [BrF].