3-(carbamoylmethylthio)-2-phenylisoindol-1(3H)-one | 1338244-98-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 3-(carbamoylmethylthio)-2-phenylisoindol-1(3H)-one
• 英文别名: 2-[(3-oxo-2-phenyl-1H-isoindol-1-yl)sulfanyl]acetamide
• CAS: 1338244-98-6
• 化学式: C₁₆H₁₄N₂O₂S
• 分子量: 298.365
• InChiKey: GHKDQVPMRVSBNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-acetoxy-2-phenylisoindolin-1-one 、 sodium carbamoylmethylthiosulfate 在 硫酸 作用下， 以80%的产率得到3-(carbamoylmethylthio)-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

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.