3-肼基-N,N-二甲基苯胺 | 940924-81-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-肼基-N,N-二甲基苯胺
• 英文名称: phenylhydrazine
• 英文别名: m-dimethylaminophenylhydrazine；3-hydrazinyl-N,N-dimethylaniline
• CAS: 940924-81-2
• 化学式: C₈H₁₃N₃
• mdl: MFCD09999880
• 分子量: 151.211
• InChiKey: JGYOZBKBTNWBSR-UHFFFAOYSA-N

物化性质

• 沸点：
  304.4±25.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  41.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  3-肼基-N,N-二甲基苯胺 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 生成 1-(3-dimethylaminophenyl)-3-(4-((4-methoxyphenyl)sulfonylamino)phenyl)-5-amino-1H-pyrazole
  参考文献：
  名称：

  Aminopyrazoles with high affinity for the human neuropeptide Y5 receptor

  摘要：

  1,3-Disubstituted-5-aminopyrazoles were prepared based on a lead compound found through high-throughput screening of our corporate compound library in an assay measuring affinity for the human neuropeptide Y5 receptor. The target compounds were prepared by cyclization of alpha -cyanoketones with appropriate hydrazines, followed by reduction and coupling to various sulfonamido-carboxylic acids. Several of these arylpyrazoles (e.g., 19 and 45) displayed high affinity for the human NPY Y5 receptor (< 20 nM IC(50)s). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00448-6

文献信息

• Synthesis of Pyrazoles from 1,3-Diols via Hydrogen Transfer Catalysis
  作者：Daniel C. Schmitt、Alexandria P. Taylor、Andrew C. Flick、Robert E. Kyne

  DOI：10.1021/acs.orglett.5b00266

  日期：2015.3.20

  1,3-Diols engage in ruthenium-catalyzed hydrogen transfer in the presence of alkyl hydrazines to provide 1,4-disubstituted pyrazoles. Regioselective synthesis of unsymmetrical pyrazoles from beta-hydroxy ketones is also described.
• US4158007A
  申请人：——

  公开号：US4158007A

  公开（公告）日：1979-06-12
• US4193923A
  申请人：——

  公开号：US4193923A

  公开（公告）日：1980-03-18
• US4226774A
  申请人：——

  公开号：US4226774A

  公开（公告）日：1980-10-07
• Aminopyrazoles with high affinity for the human neuropeptide Y5 receptor
  作者：Cheryl P Kordik、Chi Luo、Brian C Zanoni、Scott L Dax、James J McNally、Timothy W Lovenberg、Sandy J Wilson、Allen B Reitz

  DOI：10.1016/s0960-894x(01)00448-6

  日期：2001.9

  1,3-Disubstituted-5-aminopyrazoles were prepared based on a lead compound found through high-throughput screening of our corporate compound library in an assay measuring affinity for the human neuropeptide Y5 receptor. The target compounds were prepared by cyclization of alpha -cyanoketones with appropriate hydrazines, followed by reduction and coupling to various sulfonamido-carboxylic acids. Several of these arylpyrazoles (e.g., 19 and 45) displayed high affinity for the human NPY Y5 receptor (< 20 nM IC(50)s). (C) 2001 Elsevier Science Ltd. All rights reserved.