1,3,4-Trimethyl-pyrazolon | 113307-33-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 1,3,4-Trimethyl-pyrazolon
• 英文别名: 2,4,5-trimethyl-1,2-dihydro-pyrazol-3-one；2,4,5-Trimethyl-1,2-dihydro-pyrazol-3-on；1,3,4-trimethyl-3-pyrazolin-5-one；trimethyl-1H-pyrazol-5-ol；2,4,5-trimethyl-1H-pyrazol-3-one
• CAS: 113307-33-8
• 化学式: C₆H₁₀N₂O
• 分子量: 126.158
• InChiKey: ZZQIPPXPEIMART-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3,4-Trimethyl-pyrazolon 在 dinitrogen tetraoxide 作用下， 以 乙腈 为溶剂， 以80 %的产率得到2,4,5-trimethyl-4-nitro-2,4-dihydro-pyrazol-3-one
  参考文献：
  名称：

  4-Nitropyrazolin-5-ones as Readily Available Fungicides of the Novel Structural Type for Crop Protection: Atom-Efficient Scalable Synthesis and Key Structural Features Responsible for Activity

  摘要：

  DOI：

  10.1021/acs.jafc.1c07413
• 作为产物：
  描述：

  甲基肼 、 2-甲基乙酰乙酸乙酯 以 氘代乙腈 为溶剂， 生成 1,3,4-Trimethyl-pyrazolon
  参考文献：
  名称：

  Katrizky, Alan R.; Barczynski, Piotr; Ostercamp, Daryl L., Journal of the Chemical Society. Perkin transactions II, 1987, p. 969 - 976

  摘要：

  DOI：

文献信息

• Indane-amine derivatives, their preparation and use as medicaments
  申请人：Laboratorios del. Dr. Esteve, S.A.

  公开号：EP2308849A1

  公开（公告）日：2011-04-13

  The present invention relates to indane-amine derivatives, to processes for the preparation thereof, to medicaments comprising them as well as to their use for the preparation of a medicament for the treatment of 5HT7 receptor mediated diseases or conditions.

  本发明涉及茚烷胺衍生物，其制备方法，包含它们的药物以及它们用于制备治疗5HT7受体介导的疾病或病症的药物。
• [EN] INDANE-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS<br/>[FR] DÉRIVÉS D'INDANE-AMINE, LEUR PRÉPARATION ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS
  申请人：ESTEVE LABOR DR

  公开号：WO2011042343A1

  公开（公告）日：2011-04-14

  The present invention relates to indane-amine derivatives, to processes for the preparation thereof, to medicaments comprising them as well as to their use for the preparation of a medicament for the treatment of 5HT7 receptor mediated diseases or conditions.

  本发明涉及茚烷胺衍生物，其制备方法，包含它们的药物以及它们用于制备治疗5HT7受体介导的疾病或症状的药物。
• [EN] N-SUBSTITUTED HYDROXAMIC ACIDS WITH CARBON-BASED LEAVING GROUPS AS EFFICIENT HNO DONORS AND USES THEREOF<br/>[FR] ACIDES HYDROXAMIQUES N-SUBSTITUÉS COMPORTANT DES GROUPES PARTANTS À BASE DE CARBONE SERVANT DE DONNEURS DE HNO EFFICACES ET UTILISATIONS DE CEUX-CI
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2016210392A1

  公开（公告）日：2016-12-29

  N-substituted hydroxamic acids with carbon-based leaving groups as efficient HNO donors are disclosed. Pharmaceutical compositions and kits comprising such compounds, and methods of using such compounds or pharmaceutical compositions also are disclosed.

  本文披露了作为高效HNO供体的带碳基离开基团的N-取代羟肟酸。还披露了包含这类化合物的制药组合物和试剂盒，以及使用这类化合物或制药组合物的方法。
• Heterocycyl-substituted-alkylamino phenyl derivatives, their preparation and use as medicaments
  申请人：Laboratorios del. Dr. Esteve, S.A.

  公开号：EP2308850A1

  公开（公告）日：2011-04-13

  The present invention relates to heterocyclyl-substituted alkylamino phenyl derivatives of formula (I), to processes for the preparation thereof, to medicaments comprising them as well as to their use for the preparation of a medicament for the treatment of 5HT7 receptor mediated diseases or conditions.

  本发明涉及公式（I）的杂环取代烷基氨基苯基衍生物，以及其制备方法、包含它们的药物以及它们用于制备用于治疗5HT7受体介导的疾病或症状的药物的用途。
• [EN] HETEROCYCYL-SUBSTITUTED-ALKYLAMINO PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS<br/>[FR] DÉRIVÉS ALKYLAMINOPHÉNYLES À SUBSTITUTION HÉTÉROCYCLYLE, LEUR PRÉPARATION ET LEUR UTILISATION EN TANT QUE MÉDICAMENTS
  申请人：ESTEVE LABOR DR

  公开号：WO2011042302A1

  公开（公告）日：2011-04-14

  The present invention relates to heterocyclyl-substituted alkylamino phenyl derιvatives (I) to processes for the preparation thereof, to medicaments comprising them as well as to their use for the preparation of a medicament for the treatment of 5HT7 receptor mediated diseases or conditions. In the compounds (I) x-y-z together form -N-N=CR1- or =C-NR2 -N=.

  本发明涉及杂环取代烷基氨基苯基衍生物（I），以及其制备方法，包括将其作为药物的药物以及用于制备治疗5HT7受体介导的疾病或症状的药物的用途。在化合物（I）中，x-y-z共同形成-N-N=CR1-或=C-NR2-N=。