Methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate | 477263-27-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
• CAS: 477263-27-7
• 化学式: C₁₁H₉F₆NO₂
• 分子量: 301.188
• InChiKey: UIGVPGLMVWVJIT-UHFFFAOYSA-N

物化性质

• 沸点：
  265.3±40.0 °C(Predicted)
• 密度：
  1.381±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate 、 1-溴-2-(溴甲基)-4-硝基苯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 methyl [3,5-bis(trifluoromethyl)benzyl](2-bromo-5-nitrobenzyl)carbamate
  参考文献：
  名称：

  Design of a novel class of biphenyl CETP inhibitors

  摘要：

  A new class of CETP inhibitors was designed and prepared. These compounds are potent both in vitro and in vivo. The most active compound (12d) has shown an ability to raise HDL significantly in transgenic mouse PD model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.019
• 作为产物：
  描述：

  氯甲酸甲酯 、 3,5-双(三氟甲基)苄胺 以 二氯甲烷 为溶剂， 以95%的产率得到Methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]carbamate
  参考文献：
  名称：

  Design of a novel class of biphenyl CETP inhibitors

  摘要：

  A new class of CETP inhibitors was designed and prepared. These compounds are potent both in vitro and in vivo. The most active compound (12d) has shown an ability to raise HDL significantly in transgenic mouse PD model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.019

文献信息

• Design of a novel class of biphenyl CETP inhibitors
  作者：Zhijian Lu、Joann B. Napolitano、Ashleigh Theberge、Amjad Ali、Milton L. Hammond、Eugene Tan、Xinchun Tong、Suoyu S. Xu、Melanie J. Latham、Laurence B. Peterson、Matt S. Anderson、Suzanne S. Eveland、Qiu Guo、Sheryl A. Hyland、Denise P. Milot、Ying Chen、Carl P. Sparrow、Samuel D. Wright、Peter J. Sinclair

  DOI：10.1016/j.bmcl.2010.10.019

  日期：2010.12

  A new class of CETP inhibitors was designed and prepared. These compounds are potent both in vitro and in vivo. The most active compound (12d) has shown an ability to raise HDL significantly in transgenic mouse PD model. (C) 2010 Elsevier Ltd. All rights reserved.