2,6-二氯-4-甲基-3-吡啶甲酸 | 62774-90-7

• 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: 2,6-二氯-4-甲基-3-吡啶甲酸
• 中文别名: 2,4-二氯-4-甲基-3-吡啶甲腈；2,6-二氯-4-甲基烟酸
• 英文名称: 2,6-dichloro-4-methyl-nicotinic acid
• 英文别名: 2,6-dichloro-4-methylpyridine-3-carboxylic acid；2,6-dichloro-4-methyl-3-pyridinecarboxylic acid；2,6-Dichloro-4-methylnicotinic acid
• CAS: 62774-90-7
• 化学式: C₇H₅Cl₂NO₂
• mdl: MFCD02932724
• 分子量: 206.028
• InChiKey: QOSNTWMXACGOMD-UHFFFAOYSA-N

物化性质

• 熔点：
  140-141 °C
• 沸点：
  370.1±37.0 °C(Predicted)
• 密度：
  1.522±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,6-Dichloro-4-methyl-3-pyridinecarboxylic acid
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 2,6-Dichloro-4-methyl-3-pyridinecarboxylic acid
CAS number: 62774-90-7

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H5Cl2NO2
Molecular weight: 206.0

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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：

  2,6-二氯-4-甲基-3-吡啶甲酸 在 sodium hydride 、 potassium carbonate 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 40.75h， 生成 6-chloro-N-[(3-fluorophenyl)-methyl]-2-methoxy-4-methyl-pyridine-3-carboxylic acid amide
  参考文献：
  名称：

  [EN] SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS
  [FR] 6-AMINO-NICOTINAMIDES SUBSTITUÉS EN TANT QUE MODULATEURS DES KCNQ2/3

  摘要：

  这项发明涉及通式(I)的取代6-氨基烟酰胺衍生物，以及含有这些化合物的药物组合物，还涉及这些化合物在治疗和/或预防疼痛以及其他疾病和/或紊乱方面的用途。

  公开号：

  WO2012052167A1
• 作为产物：
  描述：

  3-氰基-4-甲基-2,6-二氯吡啶 在 sodium chlorite 、 sodium dihydrogenphosphate 、 二异丁基氢化铝 作用下， 以 二氯甲烷 、 水 、 甲苯 、 叔丁醇 为溶剂， 反应 8.0h， 生成 2,6-二氯-4-甲基-3-吡啶甲酸
  参考文献：
  名称：

  稳定的邻醌10-π电子系统Furo的合成与反应

  摘要：

  4,6-二氯-3-（二乙基氨基）呋喃[3,4-c]吡啶-1-甲酸甲酯（6），是Rama（II）催化的重氮分子内分子反应的reaction口-伊巴达反应中间体具有相邻酰胺基的羰基的基团已经被分离和表征。PM3的计算表明，这种非常稳定的分子的形成热（DeltaH（f））为-77.7 kcal / mol。化合物6与各种亲二烯体进行容易的Diels-Alder环加成反应，从而通过最初形成的环加合物的开环得到多取代的异喹啉衍生物。在每种情况下，环加成都以高区域选择性进行，其中吸电子基团位于氨基的邻位。最有利的FMO相互作用是在氮杂异苯并呋喃6的HOMO和亲双烯体的LUMO之间。

  DOI：

  10.1021/jo991886w

文献信息

• [EN] OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS<br/>[FR] OXADIAZOLONES EN TANT QU'INHIBITEURS DE CANAL POTENTIEL RÉCEPTEUR TRANSITOIRE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018096159A1

  公开（公告）日：2018-05-31

  The invention relates to compounds of formula (I) and pharmaceutically acceptable salts thereof. In addition, the present invention relates to methods of manufacturing and methods of using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds may be useful in treating diseases and conditions mediated by TRPA1, such as pain.

  该发明涉及式(I)的化合物及其药用可接受的盐。此外，本发明涉及制备方法和使用式(I)的化合物的方法，以及含有这种化合物的药物组合物。这些化合物可能在治疗由TRPA1介导的疾病和症状，如疼痛方面有用。
• 1,6-naphthyridine derivatives and their use to treat diabetes and related disorders
  申请人：——

  公开号：US06677352B1

  公开（公告）日：2004-01-13

  The invention relates generally to naphthyridine derivatives of the formula wherein one of U, X, Y and Z is nitrogen and the others are C—R, where R is hydrogen or a substituent. More specifically, the invention relates to 1,6-naphthyridine derivatives and pharmaceutical compositions containing such derivatives. Methods of the invention comprise administration of a naphthyridine derivative of the invention for the treatment of diabetes and related disorders.

  本发明一般涉及萘啶衍生物，其公式为： ``` ... ``` 其中U、X、Y和Z中有一个是氮，其余是C-R，其中R是氢或取代基。更具体地说，本发明涉及1,6-萘啶衍生物和包含此类衍生物的药物组合物。本发明的方法包括用于治疗糖尿病和相关障碍的萘啶衍生物的给药。
• 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  申请人：BAO JIANMING

  公开号：US20170183342A1

  公开（公告）日：2017-06-29

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及6,7-二氢-5H-吡咯[3,4-b]吡啶-5-酮化合物，这些化合物是M4毒蕈碱乙酰胆碱受体的变构调节剂。本发明还涉及在本申请中描述的化合物在潜在治疗或预防神经和精神障碍和疾病中的应用，其中涉及M4毒蕈碱乙酰胆碱受体。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及M4毒蕈碱乙酰胆碱受体的疾病的应用。
• Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases
  申请人：MACSÁRI István

  公开号：US20120122843A1

  公开（公告）日：2012-05-17

  The present invention relates to novel compounds of formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising said compounds, processes for making said compounds, and their use as medicaments for treatment and/or prevention of Aβ-related diseases.

  本发明涉及式(I)的新化合物及其药用盐，包括含有该化合物的药物组合物，制备该化合物的方法，以及它们作为治疗和/或预防Aβ相关疾病的药物的用途。
• [EN] 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS<br/>[FR] 2-AMINO-N-PHÉNYL-NICOTINAMIDES UTILISÉS EN TANT QU'INHIBITEURS DE NAV1.8
  申请人：MERCK SHARP & DOHME

  公开号：WO2020092187A1

  公开（公告）日：2020-05-07

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are inhibitors of Nav1.8 channel activity and may be useful in the treatment, prevention, management, amelioration, control and suppression of diseases mediated by Nav1.8 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方面有用。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方面有用。