2-cyano-N-(2,2-dimethylpropyl)acetamide | 1187511-47-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-cyano-N-(2,2-dimethylpropyl)acetamide
• CAS: 1187511-47-2
• 化学式: C₈H₁₄N₂O
• 分子量: 154.212
• InChiKey: NJAKRTKEWLKOSC-UHFFFAOYSA-N

物化性质

• 沸点：
  318.6±25.0 °C(predicted)
• 密度：
  0.964±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-cyano-N-(2,2-dimethylpropyl)acetamide 、 2-amino-3,6-dibromobenzaldehyde 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以90%的产率得到2-Amino-5,8-dibromo-N-neopentylquinoline-3-carboxamide
  参考文献：
  名称：

  Cyanoacetamides (IV): Versatile One-Pot Route to 2-Quinoline-3-carboxamides

  摘要：

  Cyanoacetic acid derivatives are the starting materials for a plethora of multicomponent reaction (MCR) scaffolds. Herein, we describe scope of a valuable general protocol for the synthesis of arrays of 2-aminoquinoline-3-carboxamides from cyanoacetamides and 2-aminobenzaldehydes or heterocyclic derivatives via a Friedlander reaction variation. In many cases, the reactions involve a very convenient work up by simple precipitation and filtration. More than 40 new products are described. We foresee our protocol and the resulting derivatives becoming very valuable to greatly expanding the scaffold space of cyanoacetamide derivatives.

  DOI：

  10.1021/co3000133
• 作为产物：
  描述：

  特戊胺 、 氰乙酸甲酯 生成 2-cyano-N-(2,2-dimethylpropyl)acetamide
  参考文献：
  名称：

  Cyanoacetamides (IV): Versatile One-Pot Route to 2-Quinoline-3-carboxamides

  摘要：

  Cyanoacetic acid derivatives are the starting materials for a plethora of multicomponent reaction (MCR) scaffolds. Herein, we describe scope of a valuable general protocol for the synthesis of arrays of 2-aminoquinoline-3-carboxamides from cyanoacetamides and 2-aminobenzaldehydes or heterocyclic derivatives via a Friedlander reaction variation. In many cases, the reactions involve a very convenient work up by simple precipitation and filtration. More than 40 new products are described. We foresee our protocol and the resulting derivatives becoming very valuable to greatly expanding the scaffold space of cyanoacetamide derivatives.

  DOI：

  10.1021/co3000133

文献信息

• [EN] PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES<br/>[FR] INHIBITEURS DE JAK3 DE TYPE PYRROLOPYRIDAZINE ET LEUR UTILISATION POUR TRAITER LES MALADIES INFLAMMATOIRES ET AUTO-IMMUNES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012125887A1

  公开（公告）日：2012-09-20

  Disclosed are compounds of formula (I) and pharmaceutically acceptable salts thereof. The compounds of formula (I) inhibit tyrosine kinase activity of JAK3, thereby making them useful for the treatment of inflammatory and autoimmune diseases.

  揭示了式（I）的化合物及其药用盐。式（I）的化合物抑制JAK3的酪氨酸激酶活性，因此它们可用于治疗炎症和自身免疫性疾病。
• [EN] NOVEL ARGINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS D'ARGINASE
  申请人：UNIV GRONINGEN

  公开号：WO2020249821A1

  公开（公告）日：2020-12-17

  The present invention relates to novel arginase inhibitors of formula (I). These novel compounds are useful in the treatment of diseases that are associated with arginase activity, such as asthma, allergic rhinitis and COPD (chronic obstructive pulmonary disease).

  本发明涉及式(I)的新型精氨酸酶抑制剂。这些新型化合物在治疗与精氨酸酶活性相关的疾病方面具有用途，如哮喘、过敏性鼻炎和慢性阻塞性肺疾病（COPD）。
• Cyanoacetamides (IV): Versatile One-Pot Route to 2-Quinoline-3-carboxamides
  作者：Kan Wang、Eberhardt Herdtweck、Alexander Dömling

  DOI：10.1021/co3000133

  日期：2012.5.14

  Cyanoacetic acid derivatives are the starting materials for a plethora of multicomponent reaction (MCR) scaffolds. Herein, we describe scope of a valuable general protocol for the synthesis of arrays of 2-aminoquinoline-3-carboxamides from cyanoacetamides and 2-aminobenzaldehydes or heterocyclic derivatives via a Friedlander reaction variation. In many cases, the reactions involve a very convenient work up by simple precipitation and filtration. More than 40 new products are described. We foresee our protocol and the resulting derivatives becoming very valuable to greatly expanding the scaffold space of cyanoacetamide derivatives.