Me2CHSCH2CH2C(O)Cl | 1071712-69-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: Me2CHSCH2CH2C(O)Cl
• 英文别名: (i-Pr)SCH2CH2C(O)Cl；3-propan-2-ylsulfanylpropanoyl chloride
• CAS: 1071712-69-0
• 化学式: C₆H₁₁ClOS
• 分子量: 166.672
• InChiKey: PFUZCXHQDDBOJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  二茂铁 、 Me2CHSCH2CH2C(O)Cl 在 三氯化铝 作用下， 以 not given 为溶剂， 以36%的产率得到1-ferrocenyl-5-methyl-4-thiahexan-1-one
  参考文献：
  名称：

  Synthesis, spectral characterization, electrochemical properties and antimicrobial screening of sulfur containing acylferrocenes

  摘要：

  Several known and eight new sulfur containing acylferrocenes of the general formula FcCO(CH2)(n)SR (where Fc = ferrocenyl, n = 1 or 2 and R = alkyl, 4-bromobenzyl or 2,6-dichlorobenzyl group) were synthesized in order to test their in vitro antimicrobial activity against 11 bacterial and three fungal/yeast strains. It has been shown that only four of the 14 ketones are completely inactive at the tested dose, while the activities of the other ones were noteworthy. All new compounds were well characterized by IR and NMR spectral data, and their electrochemical properties were investigated by cyclic voltammetry. The X-ray crystal structures of two representative ketones are also presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.03.002
• 作为产物：
  描述：

  3-(异丙基硫代)丙酸 在 三氯化磷 作用下， 生成 Me2CHSCH2CH2C(O)Cl
  参考文献：
  名称：

  Synthesis, spectral characterization, electrochemical properties and antimicrobial screening of sulfur containing acylferrocenes

  摘要：

  Several known and eight new sulfur containing acylferrocenes of the general formula FcCO(CH2)(n)SR (where Fc = ferrocenyl, n = 1 or 2 and R = alkyl, 4-bromobenzyl or 2,6-dichlorobenzyl group) were synthesized in order to test their in vitro antimicrobial activity against 11 bacterial and three fungal/yeast strains. It has been shown that only four of the 14 ketones are completely inactive at the tested dose, while the activities of the other ones were noteworthy. All new compounds were well characterized by IR and NMR spectral data, and their electrochemical properties were investigated by cyclic voltammetry. The X-ray crystal structures of two representative ketones are also presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.03.002

文献信息

• Synthesis, spectral characterization, electrochemical properties and antimicrobial screening of sulfur containing acylferrocenes
  作者：Danijela Ilić、Ivan Damljanović、Dragana Stevanović、Mirjana Vukićević、Niko Radulović、Volker Kahlenberg、Gerhard Laus、Rastko D. Vukićević

  DOI：10.1016/j.poly.2010.03.002

  日期：2010.5

  Several known and eight new sulfur containing acylferrocenes of the general formula FcCO(CH2)(n)SR (where Fc = ferrocenyl, n = 1 or 2 and R = alkyl, 4-bromobenzyl or 2,6-dichlorobenzyl group) were synthesized in order to test their in vitro antimicrobial activity against 11 bacterial and three fungal/yeast strains. It has been shown that only four of the 14 ketones are completely inactive at the tested dose, while the activities of the other ones were noteworthy. All new compounds were well characterized by IR and NMR spectral data, and their electrochemical properties were investigated by cyclic voltammetry. The X-ray crystal structures of two representative ketones are also presented. (C) 2010 Elsevier Ltd. All rights reserved.