3,4-二甲基吡唑-5-胺 | 91159-73-8

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 中文名称: 3,4-二甲基吡唑-5-胺
• 中文别名: 3,4-二甲基-1-H-吡唑-5-胺；3,4-二甲氧基-1-H-吡唑-5-胺
• 英文名称: 4,5-dimethyl-1H-pyrazol-3-amine
• CAS: 91159-73-8
• 化学式: C₅H₉N₃
• mdl: MFCD06255247
• 分子量: 111.147
• InChiKey: JYVPUGQZJRFFAF-UHFFFAOYSA-N

物化性质

• 熔点：
  63-67℃
• 沸点：
  317.7±37.0 °C(Predicted)
• 密度：
  1.16

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3,4-Dimethyl-1h-pyrazol-5-amine
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 3,4-Dimethyl-1h-pyrazol-5-amine
CAS number: 91159-73-8

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H9N3
Molecular weight: 111.1

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,4-二甲基吡唑-5-胺 在 硼烷四氢呋喃络合物 作用下， 反应 5.0h， 生成 N,4,5-trimethyl-1H-pyrazol-3-amine
  参考文献：
  名称：

  [EN] AMINO QUINAZOLINES AS KINASE INHIBITORS
  [FR] AMINO-QUINAZOLINES EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  揭示了具有以下公式（公式（I））的化合物：其中R1、R2、R3和Z如本文所定义，并且制备和使用这些化合物的方法。

  公开号：

  WO2013025958A1
• 作为产物：
  描述：

  3-氨基-2-甲基-巴豆腈 在 肼 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以61%的产率得到3,4-二甲基吡唑-5-胺
  参考文献：
  名称：

  QUINOLYL AMINES AS KINASE INHIBITORS

  摘要：

  揭示了具有下列化学式的化合物：其中R1、R2、R3、R4和R5如本文所定义，并提供了制备和使用这些化合物的方法。

  公开号：

  US20120041024A1

文献信息

• [EN] COMPOUNDS FOR THE MODULATION OF RIP2 KINASE ACTIVITY<br/>[FR] COMPOSÉS POUR LA MODULATION DE L'ACTIVITÉ DE LA KINASE RIP2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017046036A1

  公开（公告）日：2017-03-23

  The present invention relates to compounds, compositions, combinations and medicaments containing said compounds and processes for their preparation. The invention also relates to the use of said compounds, combinations, compositions and medicaments, for example as inhibitors of the activity of RIP2 kinase, including degrading RIP2 kinase, the treatment of diseases and conditions mediated by the RIP2 kinase, in particular for the treatment of inflammatory diseases or conditions.

  本发明涉及含有所述化合物的化合物、组合物、组合物和药物以及其制备方法。该发明还涉及所述化合物、组合物、组合物和药物的用途，例如作为RIP2激酶活性的抑制剂，包括降解RIP2激酶，用于治疗由RIP2激酶介导的疾病和症状，特别是用于治疗炎症性疾病或症状。
• [EN] AMINO-QUINOLINES AS KINASE INHIBITORS<br/>[FR] AMINO-QUINOLÉINES SERVANT D'INHIBITEURS DE KINASE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2014043437A1

  公开（公告）日：2014-03-20

  Disclosed are compounds having the formula: (Chemical formula should be inserted here.) wherein R1, R2, R3, R4 and R5 are as defined herein, and methods of making and using the same.

  揭示的是具有以下化学式的化合物：（化学式应在此处插入。）其中R1、R2、R3、R4和R5如本文所定义，并且制备和使用这些化合物的方法。
• Synthesis of Purine Analogues: Photocatalyst-Free Visible-Light-Enhanced Annulation Approach to Pyrazolo[1,5-<i>a</i>][1,3,5]triazine-2,4-diamines
  作者：Wei Guo、Zhen Xie、Liuhuan Cai、Gongping Liu、Ling Deng、Weijie Mei、Xiaoying Zou、Yumei Zhong、Xiaoya Zhuo、Lvyin Zheng、Xiaolin Fan

  DOI：10.1021/acs.joc.1c00783

  日期：2021.6.18

  pyrazolo[1,5-a][1,3,5]triazine-2,4-diamines via the formation of electron donor–acceptor (EDA) complexes is reported. The in situ generated pyrazolthiourea intermediates from 1H-pyrazol-3-amines and isothiocyanates undergo formal [4 + 2] annulation with 1,1,3,3-tetramethylguanidines (TMG) to deliver the corresponding products involved in three C–N bond formations in a one-pot protocol. The formation of EDA

  通过形成电子供体 - 受体（EDA）复合物合成吡唑并[1,5- a ][1,3,5]三嗪-2,4-二胺的一种新的无光催化剂可见光增强策略是报道。在原位从1个产生pyrazolthiourea中间体ħ吡唑-3-胺和异硫氰酸酯进行正式[4 + 2]环与1,1,3,3- tetramethylguanidines（TMG）以提供所涉及的三个C-N键的相应的产品在一锅协议中的形成。由吡唑硫脲和 TMG 形成 EDA 复合物通过紫外-可见光谱和1核磁共振实验。此外，这种温和的反应在没有任何外部过渡金属、氧化剂、碱和配体的情况下进行。这种合成嘌呤类似物吡唑并[1,5- a ][1,3,5]三嗪-2,4-二胺的有效方法在药物研发领域提供了潜在的合成应用。
• [EN] AMINO QUINAZOLINES AS KINASE INHIBITORS<br/>[FR] AMINO-QUINAZOLINES EN TANT QU'INHIBITEURS DE KINASE
  申请人：GLAXO GROUP LTD

  公开号：WO2013025958A1

  公开（公告）日：2013-02-21

  Disclosed are compounds having the formula (Formula (I)): wherein R1, R2, R3, and Z are as defined herein, and methods of making and using the same.

  揭示了具有以下公式（公式（I））的化合物：其中R1、R2、R3和Z如本文所定义，并且制备和使用这些化合物的方法。
• 防治大姜青枯病的组合物及其施用方法
  申请人：王兴翠

  公开号：CN109452288A

  公开（公告）日：2019-03-12

  本发明公开了防治大姜青枯病的组合物及其施用方法，组合物包括第一活性成分环丙沙星；第二活性成分为式Ⅰ所示的化合物或其药学上可接受的盐或溶剂化物通过姜种浸泡或药液灌根实验证明本发明所述的组合物在这两种施用方法中对大姜青枯病均具有预防效果，组合应用预防效果更佳。