Methyl 3-[(3-chlorobenzyl)sulfanyl]propanoate | 725705-34-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 3-[(3-chlorobenzyl)sulfanyl]propanoate
• 英文别名: methyl 3-[(3-chlorophenyl)methylsulfanyl]propanoate
• CAS: 725705-34-0
• 化学式: C₁₁H₁₃ClO₂S
• mdl: MFCD06091098
• 分子量: 244.742
• InChiKey: BVYAAQLCCGNMFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  丙烯酸甲酯（MA） 、 间氯氯苄 在 choline chloride-urea 、 硫脲 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.33h， 以95%的产率得到Methyl 3-[(3-chlorobenzyl)sulfanyl]propanoate
  参考文献：
  名称：

  An atom-economic and odorless thia-Michael addition in a deep eutectic solvent

  摘要：

  The first 100% atom-efficient and odorless protocol for carbon-sulfur bond formation in a deep eutectic solvent (DES) as both the reaction medium and catalyst is reported. The biodegradable and inexpensive DES provides an efficient and convenient ionic reaction medium for the thia-Michael addition with in situ generation of S-alkylisothiouronium salts in place of thiols without the urea by-product segment. This protocol offers several advantages including short reaction times, high yields, clean reactions, and inexpensive and commercially available starting materials. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.104

文献信息

• An atom-economic and odorless thia-Michael addition in a deep eutectic solvent
  作者：Najmedin Azizi、Zahra Yadollahy、Amin Rahimzadeh-Oskooee

  DOI：10.1016/j.tetlet.2014.01.104

  日期：2014.3

  The first 100% atom-efficient and odorless protocol for carbon-sulfur bond formation in a deep eutectic solvent (DES) as both the reaction medium and catalyst is reported. The biodegradable and inexpensive DES provides an efficient and convenient ionic reaction medium for the thia-Michael addition with in situ generation of S-alkylisothiouronium salts in place of thiols without the urea by-product segment. This protocol offers several advantages including short reaction times, high yields, clean reactions, and inexpensive and commercially available starting materials. (C) 2014 Elsevier Ltd. All rights reserved.