S-(β-(piperidin-1-yl)ethyl)thiosulfuric acid | 30419-75-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: S-(β-(piperidin-1-yl)ethyl)thiosulfuric acid
• 英文别名: Thiosulfuric acid, S-2-piperidinoethyl ester；1-(2-sulfosulfanylethyl)piperidine
• CAS: 30419-75-1
• 化学式: C₇H₁₅NO₃S₂
• 分子量: 225.333
• InChiKey: ZWEULOCIMMNCSC-UHFFFAOYSA-N

物化性质

• 熔点：
  179-180 °C(Solv: ethanol (64-17-5))
• 密度：
  1.344±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-acetoxy-2-phenylisoindolin-1-one 、 S-(β-(piperidin-1-yl)ethyl)thiosulfuric acid 在 三氟乙酸 、 ammonium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 以48%的产率得到3-(2-(piperidin-1-yl)ethylthio)-2-phenylisoindol-1(3H)-one
  参考文献：
  名称：

  Reactions of Bunte salts with carbocations of isobenzofuranone and isoindolone

  摘要：

  A convenient method for the preparation of functionalized derivatives of isobenzofuran-1(3H)-ones and isoindol-1(3H)-ones by reactions of their carbocations with Bunte salts is described. The reactions proceed by means of electrophilic attack on the S(II)-atom of the Bunte salts. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.016
• 作为产物：
  描述：

  1-(2-氯乙基)哌啶盐酸盐 在 sodium thiosulfate 作用下， 以 水 为溶剂， 反应 1.0h， 以48%的产率得到S-(β-(piperidin-1-yl)ethyl)thiosulfuric acid
  参考文献：
  名称：

  Reactions of Bunte salts with carbocations of isobenzofuranone and isoindolone

  摘要：

  A convenient method for the preparation of functionalized derivatives of isobenzofuran-1(3H)-ones and isoindol-1(3H)-ones by reactions of their carbocations with Bunte salts is described. The reactions proceed by means of electrophilic attack on the S(II)-atom of the Bunte salts. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.016

文献信息

• Reactions of Bunte salts with carbocations of isobenzofuranone and isoindolone
  作者：L.Yu. Ukhin、A.R. Akopova、A.V. Bicherov、L.G. Kuzmina、A.S. Morkovnik、G.S. Borodkin

  DOI：10.1016/j.tetlet.2011.08.016

  日期：2011.10

  A convenient method for the preparation of functionalized derivatives of isobenzofuran-1(3H)-ones and isoindol-1(3H)-ones by reactions of their carbocations with Bunte salts is described. The reactions proceed by means of electrophilic attack on the S(II)-atom of the Bunte salts. (C) 2011 Elsevier Ltd. All rights reserved.