2,5-二氯吡啶-6-甲醛 | 343781-53-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2,5-二氯吡啶-6-甲醛
• 中文别名: 3,6-二氯-2-吡啶羧醛；3,6-二氯吡啶-2-甲醛
• 英文名称: 3,6-dichloropicolinaldehyde
• 英文别名: 3,6-dichloro-2-pyridinecarbaldehyde；3,6-dichloropyridine-2-carbaldehyde
• CAS: 343781-53-3
• 化学式: C₆H₃Cl₂NO
• 分子量: 176.002
• InChiKey: AXJGZYKXECWPOM-UHFFFAOYSA-N

物化性质

• 沸点：
  234℃
• 密度：
  1.488
• 闪点：
  95℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3,6-Dichloro-2-pyridinecarboxaldehyde
Synonyms: 3,6-Dichloropicolinic acid

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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-Dichloro-2-pyridinecarboxaldehyde
CAS number: 343781-53-3

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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: C6H3Cl2NO
Molecular weight: 176.0

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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：

  2,5-二氯吡啶-6-甲醛 在 盐酸 、 甲醇 、 titanium(IV) tetraethanolate 、 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 lithium diisopropyl amide 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 59.5h， 生成 2-(2-(2-((R)-amino(6-amino-3-chloro-2-pyridinyl)methyl)-1-benzothiophen-7-yl)-4-pyridinyl)-1,1,1-trifluoro-2-propanol
  参考文献：
  名称：

  [EN] BENZOTHIOPHENE SULFONAMIDES AND OTHER COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN
  [FR] BENZOTHIOPHÈNE SULFONAMIDES ET AUTRES COMPOSÉS QUI INTERAGISSENT AVEC UNE PROTÉINE RÉGULATRICE DE LA GLUCOKINASE

  摘要：

  本发明涉及苯并噻吩磺胺类化合物以及与葡萄糖激酶调控蛋白相互作用的其他化合物。此外，本发明涉及使用这些化合物或其药学上可接受的盐治疗2型糖尿病和其他涉及葡萄糖激酶调控蛋白的疾病和/或症状的方法，以及含有这些化合物或其药学上可接受的盐的药物组合物。

  公开号：

  WO2013173382A1
• 作为产物：
  描述：

  二氯吡啶酸 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以15 g的产率得到2,5-二氯吡啶-6-甲醛
  参考文献：
  名称：

  [EN] BENZOTHIOPHENE SULFONAMIDES AND OTHER COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN
  [FR] BENZOTHIOPHÈNE SULFONAMIDES ET AUTRES COMPOSÉS QUI INTERAGISSENT AVEC UNE PROTÉINE RÉGULATRICE DE LA GLUCOKINASE

  摘要：

  本发明涉及苯并噻吩磺胺类化合物以及与葡萄糖激酶调控蛋白相互作用的其他化合物。此外，本发明涉及使用这些化合物或其药学上可接受的盐治疗2型糖尿病和其他涉及葡萄糖激酶调控蛋白的疾病和/或症状的方法，以及含有这些化合物或其药学上可接受的盐的药物组合物。

  公开号：

  WO2013173382A1

文献信息

• [EN] AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY<br/>[FR] COMPOSÉ AMINOPYRIMIDINE HÉTÉROCYCLIQUE PRÉSENTANT UNE ACTIVITÉ ANTAGONISTE DU RÉCEPTEUR DE L'ADÉNOSINE
  申请人：SUZHOU YUNXUAN YIYAO KEJI YOUXIAN GONGSI

  公开号：WO2017088755A1

  公开（公告）日：2017-06-01

  Disclosed hereinis an aminopyrimidine heterocyclic compound with adenosine receptor antagonistic activity, comprising a compound of the general formula (I), or a pharmaceutically acceptable salt thereof. The aminopyrimidine heterocyclic compound with adenosine receptor antagonistic activitydisclosed herein can be used as an effective adenosine receptor antagonist, and can be used for the treatment or prevention of disorders caused by abnormal level of adenosine.

  本文披露了一种具有腺苷受体拮抗活性的氨基嘧啶杂环化合物，包括一般式(I)的化合物或其药学上可接受的盐。本文披露的具有腺苷受体拮抗活性的氨基嘧啶杂环化合物可用作有效的腺苷受体拮抗剂，并可用于治疗或预防由腺苷水平异常引起的疾病。
• 2-OXOIMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210403457A1

  公开（公告）日：2021-12-30

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are inhibitors of Na v 1.8 channel activity and may be useful in the treatment, prevention, management, amelioration, control and suppression of diseases mediated by Na v 1.8 channel activity. The compounds of the present invention may be useful in the treatment, prevention or management of pain disorders, cough disorders, acute itch disorders, and chronic itch disorders.

  结构式（I）的新化合物及其药用盐是Nav1.8通道活性的抑制剂，可能在治疗、预防、管理、改善、控制和抑制由Nav1.8通道活性介导的疾病中有用。本发明的化合物可能在治疗、预防或管理疼痛障碍、咳嗽障碍、急性瘙痒障碍和慢性瘙痒障碍中有用。
• [EN] DEUBIQUITINASE INHIBITORS<br/>[FR] INHIBITEURS DE DÉUBIQUITINASE
  申请人：PHARMAKEA INC

  公开号：WO2015187427A1

  公开（公告）日：2015-12-10

  Described herein are compounds that are deubiquitinase inhibitors, methods of making pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders that would benefit from inhibition of deubiquitinase activity.

  本文描述了一些脱泛素化酶抑制剂化合物，制备含有这些化合物的药物组合物和药物，以及利用这些化合物治疗需要抑制脱泛素化酶活性的病症、疾病或紊乱的方法。
• [EN] DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME<br/>[FR] INHIBITEURS DE DÉUBIQUITINASE ET MÉTHODES D'UTILISATION DE CEUX-CI
  申请人：UNIV MICHIGAN

  公开号：WO2015054555A1

  公开（公告）日：2015-04-16

  Disclosed herein are methods of inhibiting a deubiquitinase (DUB) by contact with a compound of formula (I)

  本文披露了通过与式（I）化合物接触来抑制去泛素酶（DUB）的方法。
• Mediators of Hedgehog Signaling Pathways, Compositions and Uses Related Thereto
  申请人：Guicherit Olivin M.

  公开号：US20090012082A1

  公开（公告）日：2009-01-08

  The present invention makes available methods and reagents for inhibiting aberrant growth states resulting from hedgehog gain-of-function, ptc loss-of-function or smoothened gain-of-function comprising contacting the cell with a hedgehog antagonist, such as a small molecule, in a sufficient amount to aberrant growth state, e.g., to agonize a normal ptc pathway or antagonize smoothened or hedgehog activity.

  本发明提供了用于抑制由于hedgehog增强功能、ptc失去功能或smoothened增强功能导致的异常生长状态的方法和试剂，包括将细胞与hedgehog拮抗剂（如小分子）接触，以足够的剂量抑制异常生长状态，例如，激活正常的ptc通路或拮抗smoothened或hedgehog活性。