2-(ethylthio)-5-phenylpyrimidine | 1227172-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(ethylthio)-5-phenylpyrimidine
• 英文别名: 2-Ethylsulfanyl-5-phenylpyrimidine；2-ethylsulfanyl-5-phenylpyrimidine
• CAS: 1227172-44-2
• 化学式: C₁₂H₁₂N₂S
• 分子量: 216.307
• InChiKey: CWNPJNIBODULGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 S-乙基异硫脲氢溴酸盐 、 苯乙炔 在 Ti(NMe₂)₂(dpma) 、 环己胺 作用下， 以 甲苯 、 2-甲基-2-丁醇 为溶剂， 反应 48.0h， 以35%的产率得到2-(ethylthio)-5-phenylpyrimidine
  参考文献：
  名称：

  Titanium catalyzed one-pot multicomponent coupling reactions for direct access to substituted pyrimidines

  摘要：

  A titanium-catalyzed 3-component coupling reaction can be used to generate tautomers of 1,3-diimines. These diimines produced in situ undergo condensation with amidines in a one-pot procedure to provide substituted pyrimiclines. Seventeen examples of pyrimidines are provided using this one-pot, 4-component procedure from simple starting materials. In some cases, catalyst architecture can be tuned to control the regioselectivity of the alkyne addition. Finally, the regioselectivity of amidine addition to unsymmetrical 1,3-diimines is discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.02.066

文献信息

• INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION
  申请人：NATIONAL CENTRE FOR BIOLOGICAL SCIENCES-TIFR

  公开号：US20220062281A1

  公开（公告）日：2022-03-03

  The compounds of Formula I, II, and III along with their stereoisomers, pharmaceutically acceptable salts, polymorphs, solvates and hydrates thereof are described in the present disclosure. The said compounds restore immune activation in case of infections or a disease associated with an HIV infection in a subject in need thereof.
• Titanium catalyzed one-pot multicomponent coupling reactions for direct access to substituted pyrimidines
  作者：Supriyo Majumder、Aaron L. Odom

  DOI：10.1016/j.tet.2010.02.066

  日期：2010.4

  A titanium-catalyzed 3-component coupling reaction can be used to generate tautomers of 1,3-diimines. These diimines produced in situ undergo condensation with amidines in a one-pot procedure to provide substituted pyrimiclines. Seventeen examples of pyrimidines are provided using this one-pot, 4-component procedure from simple starting materials. In some cases, catalyst architecture can be tuned to control the regioselectivity of the alkyne addition. Finally, the regioselectivity of amidine addition to unsymmetrical 1,3-diimines is discussed. (C) 2010 Elsevier Ltd. All rights reserved.