2-(4-chlorophenylthio)-2,4-dimethylpentan-3-one | 1029989-41-0

• 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-(4-chlorophenylthio)-2,4-dimethylpentan-3-one
• 英文别名: 2-(4-Chlorophenyl)sulfanyl-2,4-dimethylpentan-3-one；2-(4-chlorophenyl)sulfanyl-2,4-dimethylpentan-3-one
• CAS: 1029989-41-0
• 化学式: C₁₃H₁₇ClOS
• 分子量: 256.796
• InChiKey: MLKFOOTXNISJSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氯苯硫酚 、 2,4-二甲基-3-戊酮 在 N-氯代丁二酰亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.43h， 以87%的产率得到2-(4-chlorophenylthio)-2,4-dimethylpentan-3-one
  参考文献：
  名称：

  N-Chlorosuccinimide as a versatile reagent for the sulfenylation of ketones: a facile synthesis of α-ketothioethers

  摘要：

  The sulfenylation of ketones having alpha-hydrogens has been achieved using N-chlorosuccinimide (NCS) under mild reaction conditions to produce alpha-ketothioethers in excellent yields with high selectivity. The use of NCS makes this method quite simple, convenient and practical. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.02.136

文献信息

• N-Chlorosuccinimide as a versatile reagent for the sulfenylation of ketones: a facile synthesis of α-ketothioethers
  作者：J.S. Yadav、B.V. Subba Reddy、Ruchi Jain、Gakul Baishya

  DOI：10.1016/j.tetlet.2008.02.136

  日期：2008.4

  The sulfenylation of ketones having alpha-hydrogens has been achieved using N-chlorosuccinimide (NCS) under mild reaction conditions to produce alpha-ketothioethers in excellent yields with high selectivity. The use of NCS makes this method quite simple, convenient and practical. (C) 2008 Published by Elsevier Ltd.