2-cyclohexyl-3-oxo-3-phenylpropionitrile | 92646-17-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclohexyl-3-oxo-3-phenylpropionitrile
• 英文别名: α-Cyclohexyl-benzoylacetonitril；2-Cyclohexyl-3-oxo-3-phenylpropanenitrile；2-cyclohexyl-3-oxo-3-phenylpropanenitrile
• CAS: 92646-17-8
• 化学式: C₁₅H₁₇NO
• 分子量: 227.306
• InChiKey: LQHFDNIUFOFHNF-UHFFFAOYSA-N

物化性质

• 沸点：
  388.9±25.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯甲酸乙酯 、 1-环己基乙腈 在 potassium 2-methylbutan-2-olate 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以89%的产率得到2-cyclohexyl-3-oxo-3-phenylpropionitrile
  参考文献：
  名称：

  A High-Yielding Preparation of β-Ketonitriles

  摘要：

  beta-Ketonitriles are important precursors for a wide variety of biologically active heterocycles. A facile procedure for the high-yielding acylation of nitrile anions with unactivated esters to provide beta-ketonitriles is reported. The procedure is successful with enolizable and nonenolizable esters as well as hindered nitrile anions.

  DOI：

  10.1021/ol053164z

文献信息

• Inhibitors of cellular metabolic processes
  申请人：Agios Pharmaceuticals, Inc.

  公开号：US10329298B2

  公开（公告）日：2019-06-25

  The present disclosure provides MAT2A inhibitor compounds that are useful as therapeutic agents for treating malignancies, and wherein the compounds conform to general formula (IA): wherein RA, RB, RC, RD, and RE are defined herein.

  本公开提供了可作为治疗剂用于治疗恶性肿瘤的 MAT2A 抑制剂化合物，其中的化合物符合通式 (IA)： 其中 RA、RB、RC、RD 和 RE 在本文中定义。
• INHIBITORS OF CELLULAR METABOLIC PROCESSES
  申请人：Agios Pharmaceuticals, Inc.

  公开号：EP3507290A1

  公开（公告）日：2019-07-10
• [EN] INHIBITORS OF CELLULAR METABOLIC PROCESSES<br/>[FR] INHIBITEURS DE PROCESSUS MÉTABOLIQUES CELLULAIRES
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2018045071A1

  公开（公告）日：2018-03-08

  The present disclosure provides MAT2A inhibitor compounds that are useful as therapeutic agents for treating malignancies, and wherein the compounds conform to general formula (IA), wherein RA, RB, RC, RD, and RE are defined herein.
• A High-Yielding Preparation of β-Ketonitriles
  作者：Yaohui Ji、William C. Trenkle、James V. Vowles

  DOI：10.1021/ol053164z

  日期：2006.3.1

  beta-Ketonitriles are important precursors for a wide variety of biologically active heterocycles. A facile procedure for the high-yielding acylation of nitrile anions with unactivated esters to provide beta-ketonitriles is reported. The procedure is successful with enolizable and nonenolizable esters as well as hindered nitrile anions.