1-[4-(5-methylsulfanyl-1H-pyrazol-3-yl)phenyl]piperidine | 914675-08-4

• 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: 1-[4-(5-methylsulfanyl-1H-pyrazol-3-yl)phenyl]piperidine
• 英文别名: 1-{4-[3-(Methylsulfanyl)-1H-pyrazol-5-yl]phenyl}piperidine；1-[4-(3-methylsulfanyl-1H-pyrazol-5-yl)phenyl]piperidine
• CAS: 914675-08-4
• 化学式: C₁₅H₁₉N₃S
• 分子量: 273.402
• InChiKey: JVJHDCZVCHNQAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-(5-methylsulfanyl-1H-pyrazol-3-yl)phenyl]piperidine 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Synthesis of 2,4,6-trisubstituted pyrimidine and triazine heterocycles as antileishmanial agents

  摘要：

  A series of 2,4,6 trisubstituted pyrimidines and triazines have been synthesized and screened for its in vitro antileishmanial activity profile in promastigote model. Nine compounds have shown > 94% inhibition against promastigotes at a concentration of 10 mu g/mL. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.08.009
• 作为产物：
  描述：

  3,3-bis(methylsulfanyl)-1-(4-(piperidin-1-yl)phenyl)propenone 在 一水合肼 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以65%的产率得到1-[4-(5-methylsulfanyl-1H-pyrazol-3-yl)phenyl]piperidine
  参考文献：
  名称：

  Synthesis of 2,4,6-trisubstituted pyrimidine and triazine heterocycles as antileishmanial agents

  摘要：

  A series of 2,4,6 trisubstituted pyrimidines and triazines have been synthesized and screened for its in vitro antileishmanial activity profile in promastigote model. Nine compounds have shown > 94% inhibition against promastigotes at a concentration of 10 mu g/mL. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.08.009

文献信息

• Synthesis of 2,4,6-trisubstituted pyrimidine and triazine heterocycles as antileishmanial agents
  作者：Naresh Sunduru、Anu Agarwal、Sanjay Babu Katiyar、Nishi、Neena Goyal、Suman Gupta、Prem M.S. Chauhan

  DOI：10.1016/j.bmc.2006.08.009

  日期：2006.12

  A series of 2,4,6 trisubstituted pyrimidines and triazines have been synthesized and screened for its in vitro antileishmanial activity profile in promastigote model. Nine compounds have shown > 94% inhibition against promastigotes at a concentration of 10 mu g/mL. (c) 2006 Elsevier Ltd. All rights reserved.