4-benzyl-3-ethoxy-5-methyl-1-phenyl-1H-pyrazole | 1147770-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-benzyl-3-ethoxy-5-methyl-1-phenyl-1H-pyrazole
• 英文别名: 4-benzyl-3-ethoxy-1-phenyl-5-methyl-1H-pyrazole；4-Benzyl-3-ethoxy-5-methyl-1-phenylpyrazole
• CAS: 1147770-64-6
• 化学式: C₁₉H₂₀N₂O
• 分子量: 292.381
• InChiKey: RWMFLGGCWCCWQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-benzyl-3-ethoxy-5-methyl-1H-pyrazole 、 苯硼酸 在 吡啶 、 copper(II) acetate monohydrate 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以75%的产率得到4-benzyl-3-ethoxy-5-methyl-1-phenyl-1H-pyrazole
  参考文献：
  名称：

  Nitrogen's reactivity of various 3-alkoxypyrazoles

  摘要：

  Our current interest in the design of original chemical libraries featuring a pyrazole nucleus led us to focus on the chemistry of the 3-alkoxy-5-methylpyrazoles we have recently made readily available. With in mind the preparation of an array of the less accessible 1-arylpyrazol-3-ones, the present report describes the respective nitrogen's reactivity of various 3-alkoxypyrazoles toward arylation reaction, using arylboronic acids, as well as alkylation reactions using methyl iodide or benzylbromide. The structure assignments of the isomers obtained were achieved using long distance N-15-H-1 NMR correlation measurements or by the recourse to unambiguous synthetic pathways. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.099

文献信息

• Alkoxypyrazoles and the process for their preparation
  申请人：Institut Pasteur

  公开号：EP2151433A1

  公开（公告）日：2010-02-10

  The present invention relates to a alkoxypyrazoles preparation process, and new alkoxypyrazole compounds.

  本发明涉及一种烷氧基吡唑的制备方法，以及新的烷氧基吡唑化合物。
• Pyrazole derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors
  申请人：INSTITUT PASTEUR

  公开号：EP2929883A1

  公开（公告）日：2015-10-14

  The present invention relates to compounds of formula (I) for their use in the treatment and/or prevention of auto-immune or auto-immune related diseases, cancer, viral infections, and central nervous system diseases and disorders, by inhibiting human dehydroorate dehydrogenase (DHODH): Wherein R1, R2, R3, R4 and Ar are as defined in claim 1.

  本发明涉及式（I）化合物，通过抑制人脱氢脱氢酶（DHODH），用于治疗和/或预防自身免疫或自身免疫相关疾病、癌症、病毒感染以及中枢神经系统疾病和失调： 其中 R1、R2、R3、R4 和 Ar 如权利要求 1 所定义。
• [EN] NEW ALKOXYPYRAZOLES<br/>[FR] NOUVEAUX ALCOXYPYRAZOLES
  申请人：PASTEUR INSTITUT

  公开号：WO2010015657A2

  公开（公告）日：2010-02-11

  The present invention relates to a alkoxypyrazoles preparation process, and new alkoxypyrazoles compounds.
• Nitrogen's reactivity of various 3-alkoxypyrazoles
  作者：Sandrine Guillou、Frédéric J. Bonhomme、Yves L. Janin

  DOI：10.1016/j.tet.2009.01.099

  日期：2009.3

  Our current interest in the design of original chemical libraries featuring a pyrazole nucleus led us to focus on the chemistry of the 3-alkoxy-5-methylpyrazoles we have recently made readily available. With in mind the preparation of an array of the less accessible 1-arylpyrazol-3-ones, the present report describes the respective nitrogen's reactivity of various 3-alkoxypyrazoles toward arylation reaction, using arylboronic acids, as well as alkylation reactions using methyl iodide or benzylbromide. The structure assignments of the isomers obtained were achieved using long distance N-15-H-1 NMR correlation measurements or by the recourse to unambiguous synthetic pathways. (c) 2009 Elsevier Ltd. All rights reserved.