3-(4-bromophenylsulfanyl)propionic acid 2-ethylhexyl ester | 881664-08-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(4-bromophenylsulfanyl)propionic acid 2-ethylhexyl ester
• 英文别名: Propanoic acid, 3-[(4-bromophenyl)thio]-, 2-ethylhexyl ester；2-ethylhexyl 3-(4-bromophenyl)sulfanylpropanoate
• CAS: 881664-08-0
• 化学式: C₁₇H₂₅BrO₂S
• 分子量: 373.354
• InChiKey: JTUXHRXCSSYALW-UHFFFAOYSA-N

物化性质

• 沸点：
  430.9±30.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-bromophenylsulfanyl)propionic acid 2-ethylhexyl ester 在 四(三苯基膦)钯 、 sodium ethanolate 、 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 20.0h， 生成 4-苯基苯-1-硫醇
  参考文献：
  名称：

  Practical Thiol Surrogates and Protective Groups for Arylthiols for Suzuki−Miyaura Conditions

  摘要：

  We have developed practical thiol surrogates and arylthiol protective groups for the Suzuki-Miyaura reaction. 2-Ethylhexyl-3-mercaptopropionate and 4-(2'-mercaptoethyl)pyridine were shown to be not only good thiol surrogates but also good protective groups for thiol. We have demonstrated toleration of these protective groups under aqueous Suzuki-Miyaura conditions.

  DOI：

  10.1021/jo052624z
• 作为产物：
  描述：

  丙烯酸2-乙基己酯 、 4-溴苯硫酚 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以93%的产率得到3-(4-bromophenylsulfanyl)propionic acid 2-ethylhexyl ester
  参考文献：
  名称：

  Practical Thiol Surrogates and Protective Groups for Arylthiols for Suzuki−Miyaura Conditions

  摘要：

  We have developed practical thiol surrogates and arylthiol protective groups for the Suzuki-Miyaura reaction. 2-Ethylhexyl-3-mercaptopropionate and 4-(2'-mercaptoethyl)pyridine were shown to be not only good thiol surrogates but also good protective groups for thiol. We have demonstrated toleration of these protective groups under aqueous Suzuki-Miyaura conditions.

  DOI：

  10.1021/jo052624z

文献信息

• BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA
  申请人：Merck Patent GmbH

  公开号：EP2870219B1

  公开（公告）日：2016-05-25
• [EN] BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA<br/>[FR] COMPOSÉS BIMÉSOGÈNES ET MILIEUX MÉSOGÈNES
  申请人：MERCK PATENT GMBH

  公开号：WO2014005671A1

  公开（公告）日：2014-01-09

  The invention relates to bimesogenic compounds of formula (I), wherein R11, R12, MG11, MG12, X11, X12 and Sp1 have the meaning given in claim 1, to the use of bimesogenic compounds of formula I in liquid crystal media and particular to flexoelectric liquid crystal devices comprising a liquid crystal medium according to the present invention.
• Practical Thiol Surrogates and Protective Groups for Arylthiols for Suzuki−Miyaura Conditions
  作者：Takahiro Itoh、Toshiaki Mase

  DOI：10.1021/jo052624z

  日期：2006.3.1

  We have developed practical thiol surrogates and arylthiol protective groups for the Suzuki-Miyaura reaction. 2-Ethylhexyl-3-mercaptopropionate and 4-(2'-mercaptoethyl)pyridine were shown to be not only good thiol surrogates but also good protective groups for thiol. We have demonstrated toleration of these protective groups under aqueous Suzuki-Miyaura conditions.