2-(环己基氨基)吡啶-4-甲腈 | 127680-82-4

• 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
• 中文名称: 2-(环己基氨基)吡啶-4-甲腈
• 中文别名: 2-(环己氨基)异氰吡啶
• 英文名称: 2-(cyclohexylamino)isonicotinonitrile
• 英文别名: 2-(cyclohexylamino)pyridine-4-carbonitrile
• CAS: 127680-82-4
• 化学式: C₁₂H₁₅N₃
• 分子量: 201.271
• InChiKey: ISFJSWYTLLLAJB-UHFFFAOYSA-N

物化性质

• 熔点：
  86-87 °C
• 沸点：
  355.2±27.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  48.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为产物：
  描述：

  4-氰基吡啶 N-氧化物 、 环己胺 在 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以57%的产率得到2-(环己基氨基)吡啶-4-甲腈
  参考文献：
  名称：

  General and Mild Preparation of 2-Aminopyridines

  摘要：

  A general and facile one-pot amination procedure for the synthesis of 2-aminopyridines from the corresponding pyridine-N-oxides is presented as a mild alternative to S(N)Ar chemistry. A variety of amines and heterocyclic-N-oxides participate effectively in this transformation which uses the phosphonium salt, PyBroP, as a means of substrate activation.

  DOI：

  10.1021/ol102301u

文献信息

• A study of the photochemically induced reaction of pyridine-2,4-dicarbonitrile with primary and secondary amines. A direct synthesis of aminocyano-pyridines
  作者：Rosanna Bernardi、Tullio Caronna、Sergio Morrocchi、Maurizio Ursini、Bruno M. Vittimberga

  DOI：10.1039/p19900000097

  日期：——

  A novel synthesis of alkylaminopyridinecarbonitriles by a photoinitiated substitution reaction between pyridine-2,4-dicarbonitrile and certain amines is described. The mechanism is discussed.

  描述了通过吡啶-2，4-二甲腈和某些胺之间的光引发的取代反应的烷基氨基吡啶甲腈的新颖合成。讨论了该机制。
• BERNARDI, ROSANNA;CARONNA, TULLIO;MORROCCHI, SERGIO;URSINI, MAURIZIO;VITT+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 97-100
  作者：BERNARDI, ROSANNA、CARONNA, TULLIO、MORROCCHI, SERGIO、URSINI, MAURIZIO、VITT+

  DOI：——

  日期：——
• [EN] 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORγT<br/>[FR] 6-AMINOPYRIDINE-3-YL THIAZOLES UTILISÉS EN TANT QUE MODULATEURS DE RORΓT
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2017189661A1

  公开（公告）日：2017-11-02

  The present invention comprises compounds of Formula (I) wherein: A1, A2, A3, A4, A5, R1, and R2 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein the syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula I.
• General and Mild Preparation of 2-Aminopyridines
  作者：Allyn T. Londregan、Sandra Jennings、Liuqing Wei

  DOI：10.1021/ol102301u

  日期：2010.11.19

  A general and facile one-pot amination procedure for the synthesis of 2-aminopyridines from the corresponding pyridine-N-oxides is presented as a mild alternative to S(N)Ar chemistry. A variety of amines and heterocyclic-N-oxides participate effectively in this transformation which uses the phosphonium salt, PyBroP, as a means of substrate activation.