(+/-)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol | 636575-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (+/-)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol
• 英文别名: 1-Butylsulfanyl-3-(4-chlorophenoxy)propan-2-ol
• CAS: 636575-21-8
• 化学式: C₁₃H₁₉ClO₂S
• 分子量: 274.812
• InChiKey: OYELOLBVBSUJLB-UHFFFAOYSA-N

物化性质

• 沸点：
  415.5±35.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  54.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸乙烯酯 、 (+/-)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol 在 Amano AK lipase 作用下， 以 various solvent(s) 为溶剂， 反应 27.0h， 生成 (S)-(-)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol 、 (R)-(+)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol 、 (R)-(-)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol acetate 、 (S)-(+)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol acetate
  参考文献：
  名称：

  1-Alkylthio-3-aryloxypropan-2-ols: synthesis and enantiomer separation by lipase-catalyzed transesterification

  摘要：

  The optically active (R)- and (S)-1-alkylthio-3-aryloxypropan-2-ols were prepared in the reaction of the appropriate arylglycidyl ethers and alkyl thiols followed by lipase-catalyzed transesterification. The effect of aryl and alkyl substituents, the enzyme preparation as well as the reaction conditions have been compared in terms of enantiomeric excess of the obtained acetate and the unreacted alcohol. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.08.005
• 作为产物：
  描述：

  对氯苯酚 在 氢氧化钾 、 sodium hydroxide 、 四丁基溴化铵 作用下， 以 乙醚 、 水 为溶剂， 反应 2.0h， 生成 (+/-)-1-butylthio-3-(4-chlorophenoxy)propan-2-ol
  参考文献：
  名称：

  1-Alkylthio-3-aryloxypropan-2-ols: synthesis and enantiomer separation by lipase-catalyzed transesterification

  摘要：

  The optically active (R)- and (S)-1-alkylthio-3-aryloxypropan-2-ols were prepared in the reaction of the appropriate arylglycidyl ethers and alkyl thiols followed by lipase-catalyzed transesterification. The effect of aryl and alkyl substituents, the enzyme preparation as well as the reaction conditions have been compared in terms of enantiomeric excess of the obtained acetate and the unreacted alcohol. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.08.005

文献信息

• 1-Alkylthio-3-aryloxypropan-2-ols: synthesis and enantiomer separation by lipase-catalyzed transesterification
  作者：Monika Wielechowska、Jan Plenkiewicz

  DOI：10.1016/j.tetasy.2003.08.005

  日期：2003.10

  The optically active (R)- and (S)-1-alkylthio-3-aryloxypropan-2-ols were prepared in the reaction of the appropriate arylglycidyl ethers and alkyl thiols followed by lipase-catalyzed transesterification. The effect of aryl and alkyl substituents, the enzyme preparation as well as the reaction conditions have been compared in terms of enantiomeric excess of the obtained acetate and the unreacted alcohol. (C) 2003 Elsevier Ltd. All rights reserved.