3,6-二氯哒嗪-4-胺 | 823-58-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 3,6-二氯哒嗪-4-胺
• 中文别名: 3,6-二氯-4-氨基哒嗪；4-氨基-3,6-二氢哒嗪；4-氨基-3,6-二氯哒嗪
• 英文名称: 3,6-dichloropyridazin-4-amine
• 英文别名: 3,6-Dichlor-4-aminopyridazin；4-Amino-3,6-dichlorpyridazin；4-amino-3,6-dichloropyridazine；3,6-dichloro-pyridazin-4-ylamine
• CAS: 823-58-5
• 化学式: C₄H₃Cl₂N₃
• mdl: MFCD01647253
• 分子量: 163.994
• InChiKey: HODYDVHWWMTUEL-UHFFFAOYSA-N

物化性质

• 熔点：
  203 °C
• 沸点：
  363.0±37.0 °C(Predicted)
• 密度：
  1.606±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,6-Dichloropyridazin-4-amine
Synonyms:

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

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Section 3. Composition/information on ingredients.
Ingredient name: 3,6-Dichloropyridazin-4-amine
CAS number: 823-58-5

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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.

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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.

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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.

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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.
Storage:

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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.

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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: C4H3Cl2N3
Molecular weight: 164.0

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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, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,6-二氯哒嗪-4-胺 在 5%-palladium/activated carbon 、 氢气 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以94.7%的产率得到4-氨基哒嗪
  参考文献：
  名称：

  一种5-氯-4-氨基哒嗪的合成方法

  摘要：

  本发明涉及化学合成技术领域，具体公开了一种5‑氯‑4‑氨基哒嗪的合成方法，该合成方法以3,6‑二氯‑4‑氨基哒嗪为起始原料，经加氢脱氯，高收率得到4‑氨基哒嗪关键中间体，然后经N‑氯代丁二酰亚胺(NCS)氯代，得到目标产物5‑氯‑4‑氨基哒嗪。5‑氯‑4‑氨基哒嗪是用于药物合成的重要中间体，但其合成路线，尤其是适用于商业化大量生产的合成路线，却未见报道。本发明首次提出了此化合物的合成路线，尤其适用于商业化大量生产，以较高的收率和高纯度制得5‑氯‑4‑氨基哒嗪。

  公开号：

  CN110903248B
• 作为产物：
  描述：

  3,4,6-三氯哒嗪 在 ammonium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 以86%的产率得到3,6-二氯哒嗪-4-胺
  参考文献：
  名称：

  通过氮辅助的区域选择性Pd催化反应获得4-烷基氨基哒嗪衍生物

  摘要：

  由三个化学和区域选择性反应（结合了胺化反应和钯催化的交叉偶联反应，例如还原性脱卤化和Suzuki-Miyaura反应）制备了3个取代，6个取代和不对称的3,6-二取代4-烷基氨基哒嗪。将该方法扩展至Sonogashira反应产生了一类新型的3-取代的吡咯并哒嗪。

  DOI：

  10.1021/jo501930s

文献信息

• Site-Selective Copper-Catalyzed Amination and Azidation of Arenes and Heteroarenes via Deprotonative Zincation
  作者：Charles E. Hendrick、Katie J. Bitting、Seoyoung Cho、Qiu Wang

  DOI：10.1021/jacs.7b07661

  日期：2017.8.23

  effective for a wide range of arenes, including nonactivated arenes bearing simple functionalities such as fluoride, chloride, ester, amide, ether, nitrile, and trifluoromethyl groups as well as heteroarenes including indole, thiophene, pyridine, and isoquinoline. An analogous C-H azidation is also accomplished using azidoiodinane for direct introduction of a useful azide group onto a broad scope of arenes

  芳烃胺化是通过位点选择性 CH 锌化，然后在温和条件下铜催化与 O-苯甲酰羟胺偶联来实现的。这一成功的关键是由氨基二乙基锌酸锂介导的邻位锌化，它对多种芳烃有效，包括带有简单官能团的非活化芳烃，如氟化物、氯化物、酯、酰胺、醚、腈和三氟甲基以及杂芳烃包括吲哚、噻吩、吡啶和异喹啉。类似的 CH 叠氮化也可以使用叠氮碘来完成，将有用的叠氮基团直接引入到广泛的芳烃和杂芳烃上。这些新的转化提供了快速获得有价值且多样化的氨基芳烃化学空间的途径。通过后期胺化和叠氮化反应合成天然产物 (-)-尼古丁和抗抑郁药舍曲林的新型类似物，证明了它们在有机合成和药物发现中的广泛应用。
• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：FOGHORN THERAPEUTICS INC

  公开号：WO2021155320A1

  公开（公告）日：2021-08-05

  The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

  本公开涉及用于治疗BAF复合物相关疾病的化合物。
• [EN] 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS<br/>[FR] 6-HÉTÉROARYLOXY BENZIMIDAZOLES ET AZABENZIMIDAZOLES EN TANT QU'INHIBITEURS DE JAK2
  申请人：AJAX THERAPEUTICS INC

  公开号：WO2021226261A1

  公开（公告）日：2021-11-11

  The present disclosure provides 6-heteroaryloxy benzimidazole and azabenzimidazole compounds and compositions thereof useful for inhibiting JAK2.

  本公开提供了6-杂芳氧基苯并咪唑和氮杂苯并咪唑化合物及其组合物，用于抑制JAK2。
• [EN] TYK2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TYK2 ET LEURS UTILISATIONS
  申请人：FRONTHERA U S PHARMACEUTICALS LLC

  公开号：WO2020185755A1

  公开（公告）日：2020-09-17

  Described herein are compounds that are useful in treating a TYK2-mediated disorder. In some embodiments, the TYK2-mediated disorder is an autoimmune disorder, an inflammatory disorder, a proliferative disorder, an endocrine disorder, a neurological disorder, or a disorder associated with transplantation.

  本发明描述了用于治疗TYK2介导的疾病的化合物。在某些实施方式中，TYK2介导的疾病是一种自身免疫性疾病、炎症性疾病、增殖性疾病、内分泌疾病、神经疾病或与移植相关的疾病。
• BTK protein kinase inhibitors
  申请人：Dewdney Nolan James

  公开号：US20090105209A1

  公开（公告）日：2009-04-23

  This application discloses pyridine and pyrimidine compounds according to formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 , X 1 and A are as described herein which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation such as rheumatoid arthritis. Also disclosed are compositions containing compounds of formula I and at least one carrier, diluent or excipient.

  这个申请公开了根据公式I的吡啶和嘧啶化合物，其中R1、R2、R3、R4、R5、X1和A如本文所述，可抑制Btk。所公开的化合物有助于调节Btk的活性，并治疗与Btk活性过度相关的疾病。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还公开了包含公式I化合物和至少一种载体、稀释剂或助剂的组合物。