6-氰基-2-氯吡嗪 | 6863-74-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡嗪类化合物
• 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: 6-氰基-2-氯吡嗪
• 中文别名: 6-氯吡嗪-2-甲腈；2-氯-6-氰基吡嗪
• 英文名称: 6-chloropyrazine-2-carbonitrile
• 英文别名: 2-chloro-6-cyanopyrazine；6-chloropyrazine-2‑carbonitrile；2-Cyano-6-chlorpyrazin；6-chloro-2-pyrazinecarbonitrile
• CAS: 6863-74-7
• 化学式: C₅H₂ClN₃
• mdl: MFCD09607699
• 分子量: 139.544
• InChiKey: CZPOFSDHJNNWQL-UHFFFAOYSA-N

物化性质

• 熔点：
  24-26℃
• 沸点：
  229℃
• 密度：
  1.43
• 闪点：
  93℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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：
  49.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 6-Chloropyrazine-2-carbonitrile
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: 6-Chloropyrazine-2-carbonitrile
CAS number: 6863-74-7

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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, refrigerated.
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: C5H2ClN3
Molecular weight: 139.5

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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

制备方法与用途

用途

6-氰基-2-氯吡嗪主要用作医药中间体。

反应信息

• 作为反应物：
  描述：

  6-氰基-2-氯吡嗪 在 一水合肼 作用下， 以 甲醇 为溶剂， 以69 %的产率得到6-chloropyrazine-2-carbamidrazone
  参考文献：
  名称：

  新型铜 (II) 配合物的抗癌和抗菌活性

  摘要：

  在这项研究中，三个新的有机配体 N'-(benzylidene)-6-chloropyrazine-2-carbohydrazonamide (L 1 )、6-chloro-N'-(4-nitrobenzylidene)picolinohydrazonamide(L 2 ) 和 N'-( benzylidene)-4-chloropicolinohydrazonamide (L 3 ) 和三种铜配位化合物 (Cu(L 1 )Cl 2 , Cu(L 2 )Cl 2和 Cu(L 3 )Cl 2) 基于它们合成。使用适当的分析技术对所有获得的化合物进行表征：元素分析 (EA)、热重分析 (TG–DTG)、傅里叶变换红外光谱 (FTIR) 和火焰原子吸收光谱 (F-AAS)。这些物理化学分析方法有助于假设三种情况下的络合以双齿方式进行。X 射线研究证实了 L 1和 L 3配体的合成途径和分子结构。

  DOI：

  10.1016/j.jinorgbio.2022.112108
• 作为产物：
  描述：

  3-吡嗪羧酰胺 1-氧化物 在 五氯化磷 作用下， 反应 3.5h， 生成 6-氰基-2-氯吡嗪
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRAZ INYLMETHYL SULFONAMIDES FOR USE AS. FUNGICIDES
  [FR] SULFONAMIDES DE PYRAZINYLMÉTHYLE SUBSTITUÉS CONVENANT COMME FONGICIDES

  摘要：

  本发明涉及使用式（I）的吡嗪甲基磺胺化合物，其中Ra、n、R1、R2、R3、A、Y和D如权利要求中所定义，以及其N-氧化物和盐，用于对抗有害真菌，以及包含至少一种这种化合物的组合物和种子。该发明还涉及新型取代的吡嗪甲基磺胺化合物，以及用于制备这些化合物的过程和中间体。

  公开号：

  WO2009112523A1

文献信息

• [EN] 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS<br/>[FR] 1H-PYRAZOLO [4,3-B] PYRIDINES EN TANT QU'INHIBITEURS DE PDE1
  申请人：H LUNDBECK AS

  公开号：WO2018007249A1

  公开（公告）日：2018-01-11

  The present invention provides 1H-pyrazolo[4,3-b]pyridin-7-amines of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的1H-吡唑并[4,3-b]吡啶-7-胺作为PDE1抑制剂，并将其用作药物，特别用于治疗神经退行性疾病和精神疾病。
• 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS
  申请人：H. Lundbeck A/S

  公开号：US20190194189A1

  公开（公告）日：2019-06-27

  The present invention provides 1H-pyrazolo[4,3-b]pyridines of formula (I) as PDE1 inhibitors and their use as a medicament, in particular for the treatment of neurodegenerative disorders and psychiatric disorders.

  本发明提供了式(I)的1H-吡唑并[4,3-b]吡啶类化合物作为PDE1抑制剂，并将其用作药物，特别用于治疗神经退行性疾病和精神疾病。
• N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists
  申请人：——

  公开号：US20020165241A1

  公开（公告）日：2002-11-07

  Compounds represented by Formula (I): 1 or pharmaceutically acceptable salts thereof, are effective as NMDA NR2B antagonists useful for relieving pain.

  由化学式（I）表示的化合物及其药学上可接受的盐，可作为NMDA NR2B拮抗剂，用于缓解疼痛。
• [EN] TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR<br/>[FR] COMPOSÉS DE TRIAZOLE FURANE UTILISÉS EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018097944A1

  公开（公告）日：2018-05-31

  Compounds of Formula (I) and Formula (II), pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and have use in treating cardiovascular and other conditions. Compounds of Formula (I) and Formula (II) have the following structures: (I); (II). Intermediates (V) are also claimed.

  式(I)和式(II)的化合物，其药用盐，任何上述化合物的立体异构体，或它们的混合物是APJ受体的激动剂，并且在治疗心血管和其他疾病方面有用。式(I)和式(II)的化合物具有以下结构：(I); (II)。中间体(V)也被要求。
• [EN] COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES<br/>[FR] TRAITEMENTS COMBINÉS COMPRENANT L'ADMINISTRATION DE 1H-PYRAZOLO [4,3-B] PYRIDINES
  申请人：H LUNDBECK AS

  公开号：WO2019115567A1

  公开（公告）日：2019-06-20

  The present invention provides 1H-pyrazolo[4,3-b]pyridin-7-amines of formula (I) as PDE1 inhibitors together with a second compound useful in the treatment of a neurodegenerative disorder and their combined use as a medicament, in particular for the treatment of neurodegenerative and/or cognitive disorders.

  本发明提供了式(I)的1H-吡唑并[4,3-b]吡啶-7-胺作为PDE1抑制剂，以及在治疗神经退行性疾病中有用的第二化合物，以及它们的联合使用作为药物，特别用于治疗神经退行性和/或认知障碍。