3,3-bis(methylsulfanyl)-1-(4-(piperidin-1-yl)phenyl)propenone | 914675-07-3

• 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: 3,3-bis(methylsulfanyl)-1-(4-(piperidin-1-yl)phenyl)propenone
• 英文别名: 3,3-Bis(methylsulfanyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one；3,3-bis(methylsulfanyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
• CAS: 914675-07-3
• 化学式: C₁₆H₂₁NOS₂
• 分子量: 307.481
• InChiKey: ZKUXZVQRAGYGKE-UHFFFAOYSA-N

物化性质

• 熔点：
  110 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
• 沸点：
  471.4±45.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3-bis(methylsulfanyl)-1-(4-(piperidin-1-yl)phenyl)propenone 在 potassium carbonate 、 一水合肼 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 20.0h， 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：

  二硫化碳 、 4-哌啶苯乙酮 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以72%的产率得到3,3-bis(methylsulfanyl)-1-(4-(piperidin-1-yl)phenyl)propenone
  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.