2-(butylthio)propanoyl chloride | 153359-33-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 2-(butylthio)propanoyl chloride
• 英文别名: 2-Butylsulfanylpropanoyl chloride
• CAS: 153359-33-2
• 化学式: C₇H₁₃ClOS
• 分子量: 180.699
• InChiKey: IRYUVDNRBUKNFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  2-(butylthio)propanoyl chloride 在 三乙胺 作用下， 以 环己烷 为溶剂， 以50%的产率得到2,4-bis(butylthio)-2,4-dimethyl-1,3-cyclobutanedione
  参考文献：
  名称：

  Koebbing, Stephan; Mattay, Jochen; Raabe, Gerhard, Chemische Berichte, 1993, vol. 126, # 8, p. 1849 - 1858

  摘要：

  DOI：
• 作为产物：
  描述：

  2-丁基硫烷基丙酸 在 氯化亚砜 作用下， 以94%的产率得到2-(butylthio)propanoyl chloride
  参考文献：
  名称：

  Koebbing, Stephan; Mattay, Jochen; Raabe, Gerhard, Chemische Berichte, 1993, vol. 126, # 8, p. 1849 - 1858

  摘要：

  DOI：

文献信息

• Trichosporon beigelli esterase (TBE): a versatile esterase for the resolution of economically important racemates
  作者：Surrinder Koul、Jawahir Lal Koul、Budh Singh、Munish Kapoor、Rajinder Parshad、Kuldeep S. Manhas、Subhash C. Taneja、Ghulam N. Qazi

  DOI：10.1016/j.tetasy.2005.07.009

  日期：2005.8

  A hydrolase producing strain Trichosporon beigelli esterase (TBE) isolated from local cottage cheese in its native form has displayed versatility and high efficacy in the kinetic resolution of a wide range of economically important substrates, which include racemic secondary alcohols, such as 1-(6-methoxy-2-naphtliyl)ethanol (E similar to 316), 1-(3,4-methylenedioxyphenyl)ethanol and pentanol (E similar to 180 and 156 resp.), and alkyl esters of carboxylic acids such as ibuprofen (E similar to 340), 2-(benzylthio)propanoic acid (E similar to 1000). In other substrates such as in the primary alcohol 2-(6-methoxy-2-naphthyl)propan-1-ol and carboxylic acids such as 2-(5-bromo-6-methoxy-2-naphthyl)propanoic acid, 2-(2-naphthyloxy)propanoic acid, and substituted 2-thiopropanoic acids, it displayed moderate to low selectivity. Commercial lipases such as CCL, PPL, and PSL were also used in the resolution of the substrates for comparative studies. (c) 2005 Elsevier Ltd. All rights reserved.
• Koebbing, Stephan; Mattay, Jochen; Raabe, Gerhard, Chemische Berichte, 1993, vol. 126, # 8, p. 1849 - 1858
  作者：Koebbing, Stephan、Mattay, Jochen、Raabe, Gerhard

  DOI：——

  日期：——

表征谱图