Me(CH2)3SCH2CH2C(O)Cl | 54654-09-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: Me(CH2)3SCH2CH2C(O)Cl
• 英文别名: (n-Bu)SCH2CH2C(O)Cl
• CAS: 54654-09-0
• 化学式: C₇H₁₃ClOS
• 分子量: 180.699
• InChiKey: ATWPLLIIAYODBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  10.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  二茂铁 、 Me(CH2)3SCH2CH2C(O)Cl 在 三氯化铝 作用下， 以 not given 为溶剂， 以73%的产率得到1-ferrocenyl-4-thiaoctan-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-(丁基硫代)丙酸 在 三氯化磷 作用下， 生成 Me(CH2)3SCH2CH2C(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

• Effect of heteroatoms in the side chains of disklike molecules on the formation of discotic liquid crystalline phases
  作者：David M. Collard、C. Peter Lillya

  DOI：10.1021/jo00021a020

  日期：1991.10

  Incorportion of oxygen and sulfur atoms into the side chains of discotic liquid crystals generally results in a depression of both the crystal to discotic and discotic to isotropic transition temperatures relative to the n-alkyl analogue. In contrast, replacement of the methylenes in side-chain positions 4 of 2,3,6,7,10,11-hexakis(alkanoyloxy)triphenylenes increases the clearing (M-I) temperature from 120 to 200-degrees-C. This effect is specific for sulfur substitution, to the triphenylene series, and to the 4-position. It is not expected, based on a simple model for discotic-phase formation.