2-{[(1S)-1-phenylethyl]amino}-isonicotinonitrile | 383426-39-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-{[(1S)-1-phenylethyl]amino}-isonicotinonitrile
• 英文别名: 2-[[(1S)-1-phenylethyl]amino]pyridine-4-carbonitrile
• CAS: 383426-39-9
• 化学式: C₁₄H₁₃N₃
• 分子量: 223.277
• InChiKey: NRFVGJMBVORDMG-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  48.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-{[(1S)-1-phenylethyl]amino}-isonicotinonitrile 在 二异丁基氢化铝 、 盐酸 作用下， 以 甲苯 为溶剂， 生成 2-[[(1S)-1-苯基乙基]氨基]吡啶-4-甲醛
  参考文献：
  名称：

  Practical routes toward the synthesis of 2-halo- and 2-alkylamino-4-pyridinecarboxaldehydes

  摘要：

  We recently required an efficient synthesis of 2-halo- and2-alkylamino-4-pyridinecarboxaldehydes. Several routes to these compounds were investigated resulting in efficient and practical procedures from readily available and inexpensive starting materials. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01428-9
• 作为产物：
  描述：

  2-氟-4-甲基吡啶 在 氯化亚砜 、 亚硝酸特丁酯 、 N,N-二甲基乙酰胺 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 2-{[(1S)-1-phenylethyl]amino}-isonicotinonitrile
  参考文献：
  名称：

  Practical routes toward the synthesis of 2-halo- and 2-alkylamino-4-pyridinecarboxaldehydes

  摘要：

  We recently required an efficient synthesis of 2-halo- and2-alkylamino-4-pyridinecarboxaldehydes. Several routes to these compounds were investigated resulting in efficient and practical procedures from readily available and inexpensive starting materials. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01428-9

文献信息

• Synthesis of substituted imidazoles
  申请人：——

  公开号：US20030055255A1

  公开（公告）日：2003-03-20

  The present invention prepares imidazoles by the selective closure of a keto-amide to form the imidazolyl ring. In particular, the present invention selectively closes a keto-amide substituted with three rings to form a tri-substituted imidazole.

  本发明通过选择性闭合酮酰胺以形成咪唑环来制备咪唑。具体而言，本发明选择性地闭合三个环取代的酮酰胺以形成三取代咪唑。
• Practical routes toward the synthesis of 2-halo- and 2-alkylamino-4-pyridinecarboxaldehydes
  作者：Lisa F Frey、Karen Marcantonio、Doug E Frantz、Jerry A Murry、Richard D Tillyer、Edward J.J Grabowski、Paul J Reider

  DOI：10.1016/s0040-4039(01)01428-9

  日期：2001.9

  We recently required an efficient synthesis of 2-halo- and2-alkylamino-4-pyridinecarboxaldehydes. Several routes to these compounds were investigated resulting in efficient and practical procedures from readily available and inexpensive starting materials. (C) 2001 Elsevier Science Ltd. All rights reserved.