3,3-bis(phenylthio)propyl 4-propylbenzoate | 263565-61-3

• 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: 3,3-bis(phenylthio)propyl 4-propylbenzoate
• 英文别名: 3,3-Bis(phenylsulfanyl)propyl 4-propylbenzoate
• CAS: 263565-61-3
• 化学式: C₂₅H₂₆O₂S₂
• 分子量: 422.612
• InChiKey: JYMIHKQHCBRQQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3-bis(phenylthio)propyl 4-propylbenzoate 在 Cp2Ti(P(OEt)3)2 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以55%的产率得到4-hydroxy-1-(4-propylphenyl)butan-1-one
  参考文献：
  名称：

  Titanocene(II)-Promoted Olefination of ω,ω-Bis(phenylthio)alkyl Alkanoates. A New Method for the Preparation of ω-Hydroxy Ketones

  摘要：

  Intramolecular olefination of esters having a thioacetal moiety was studied. The treatment of omega,omega-bis(phenylthio)alkyl alkanoates with Cp2Ti[P(OEt)(3)](2) and the following hydrolysis gave omega-hydroxy ketones in good yields. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01091-1
• 作为产物：
  描述：

  3,3-双(苯基巯基)丙酸甲酯 在 吡啶 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 3,3-bis(phenylthio)propyl 4-propylbenzoate
  参考文献：
  名称：

  Titanocene(II)-Promoted Olefination of ω,ω-Bis(phenylthio)alkyl Alkanoates. A New Method for the Preparation of ω-Hydroxy Ketones

  摘要：

  Intramolecular olefination of esters having a thioacetal moiety was studied. The treatment of omega,omega-bis(phenylthio)alkyl alkanoates with Cp2Ti[P(OEt)(3)](2) and the following hydrolysis gave omega-hydroxy ketones in good yields. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)01091-1

文献信息

• Titanocene(II)-Promoted Olefination of ω,ω-Bis(phenylthio)alkyl Alkanoates. A New Method for the Preparation of ω-Hydroxy Ketones
  作者：Md.Abdur Rahim、Tooru Fujiwara、Takeshi Takeda

  DOI：10.1016/s0040-4020(99)01091-1

  日期：2000.1

  Intramolecular olefination of esters having a thioacetal moiety was studied. The treatment of omega,omega-bis(phenylthio)alkyl alkanoates with Cp2Ti[P(OEt)(3)](2) and the following hydrolysis gave omega-hydroxy ketones in good yields. (C) 2000 Elsevier Science Ltd. All rights reserved.