1-ethyl-3-methyl-1H-pyrazole-4-carbonitrile | 1006471-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-ethyl-3-methyl-1H-pyrazole-4-carbonitrile
• 英文别名: 1-ethyl-3-methylpyrazole-4-carbonitrile
• CAS: 1006471-43-7
• 化学式: C₇H₉N₃
• mdl: MFCD04969707
• 分子量: 135.169
• InChiKey: JMCHQKIBVJRNIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine 在 乙酸酐 作用下， 反应 1.0h， 以85%的产率得到1-ethyl-3-methyl-1H-pyrazole-4-carbonitrile
  参考文献：
  名称：

  吡唑-4-甲醛甲醛肟的合成，结构与性质

  摘要：

  1-烷基-1 H-吡唑-4-甲醛甲醛肟与乙酸酐反应生成相应的腈，这对于醛肟的反异构体来说是典型的。通过X射线分析确定了晶体中5-甲基-1-丙基-1 H-吡唑-4-甲醛甲醛的抗构型。

  DOI：

  10.1134/s1070363212100131

文献信息

• [EN] SALT AND CRYSTAL FORM OF STEROID DERIVATIVE REGULATOR<br/>[FR] SEL ET FORME CRISTALLINE D'UN RÉGULATEUR DE DÉRIVÉ DE STÉROÏDE<br/>[ZH] 一种甾族类衍生物调节剂的盐及其晶型
  申请人：SHANGHAI HANSOH BIOMEDICAL CO LTD

  公开号：WO2021023213A1

  公开（公告）日：2021-02-11

  本发明涉及一种甾族类衍生物调节剂。具体涉及一种具有通式(I)的化合物、其盐和晶型、制备方法和含有治疗有效量的该晶型的药物组合物以及其作为GABAA受体调节剂在治疗抑郁症、惊厥、帕金森和神经系统疾病的应用。
• FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME
  申请人：Umetani Hideki

  公开号：US20100016612A1

  公开（公告）日：2010-01-21

  The present invention provides a fluorine-containing pyrazolecarbonitrile derivative and a method for producing the same, and a fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and a method for producing the same. A fluorine-containing acyacrylonitrile derivative prepared from a fluoroacyl derivative and an aminoacrylonitrile derivative, is reacted with a hydrazine derivative to produce a fluorine-containing pyrazolecarbonitrile derivative represented by Formula (1). In Formula (1), Rf represents an alkyl group having 1 to 6 carbon atoms and substituted with at least one fluorine atom; R1 represents an alkyl group having 1 to 6 carbon atoms and R2 represents a hydrogen atom, an alkyl group having 1 to 6 carbon atoms or the like. The fluorine-containing pyrazolecarbonitrile derivative represented by Formula (1) is reacted with water to produce a fluorine-containing pyrazolecarboxylic acid derivative.
• US7884216B2
  申请人：——

  公开号：US7884216B2

  公开（公告）日：2011-02-08
• Synthesis, structure, and properties of pyrazole-4-carbaldehyde oximes
  作者：O. S. Attaryan、A. A. Sahakyan、R. A. Tamazyan、A. G. Ayvazyan、G. V. Asratyan

  DOI：10.1134/s1070363212100131

  日期：2012.10

  1-Alkyl-1H-pyrazole-4-carbaldehyde oximes reacted with acetic anhydride to give the corresponding nitriles, which is typical for anti isomers of aldoximes. The anti configuration of 5-methyl-1-propyl-1H-pyrazole-4-carbaldehyde oxime in crystal was unambiguously determined by X-ray analysis.

  1-烷基-1 H-吡唑-4-甲醛甲醛肟与乙酸酐反应生成相应的腈，这对于醛肟的反异构体来说是典型的。通过X射线分析确定了晶体中5-甲基-1-丙基-1 H-吡唑-4-甲醛甲醛的抗构型。