2-氯-5-氟-6-甲基吡啶 | 884494-78-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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-氯-5-氟-6-甲基吡啶
• 中文别名: 6-氯-3-氟-2-甲基吡啶；2-甲基-3-氟-6-氯吡啶；2-氯-5-氟-6-甲基嘧啶
• 英文名称: 6-chloro-3-fluoro-2-methylpyridine
• 英文别名: 2-chloro-5-fluoro-6-methylpyridine
• CAS: 884494-78-4
• 化学式: C₆H₅ClFN
• mdl: MFCD04972391
• 分子量: 145.564
• InChiKey: ICSRNKKGNHKSJH-UHFFFAOYSA-N

物化性质

• 熔点：
  58-60°C
• 沸点：
  163.4±35.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R22
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-5-fluoro-6-methylpyridine
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: 2-Chloro-5-fluoro-6-methylpyridine
CAS number: 884494-78-4

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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: C6H5ClFN
Molecular weight: 145.6

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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, hydrogen fluoride.

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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-氯-5-氟-6-甲基吡啶 在 sodium methylate 、 sodium hydride 、 苯甲醚 、 三氟乙酸 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 二甲基亚砜 、 乙腈 为溶剂， 反应 28.08h， 生成 6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine D-tartrate
  参考文献：
  名称：

  Discovery of a Potent, Dual Serotonin and Norepinephrine Reuptake Inhibitor

  摘要：

  The objective of the described research effort was to identify novel serotonin and norepinephrine reuptake inhibitor (SNRI) with improved norepinephrine transporter activity and acceptable metabolic stability and exhibiting minimal drug-drug interaction. We describe herein the discovery of a series of 3-substituted pyrrolidines exemplified by compound 1. Compound 1 is a selective SNRI in vitro and in vivo has favorable ADME properties, and retains inhibitory activity in the formalin model of pain behavior. Compound 1 thus represents a potential new probe to explore utility of SNRIs in central nervous system disorders, including,chronic: pain conditions.

  DOI：

  10.1021/ml400049p
• 作为产物：
  描述：

  6-氯-2-甲基-3-硝基吡啶 在 盐酸 、 5%-palladium/activated carbon 、 氢气 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 45.0 ℃ 、500.01 kPa 条件下， 反应 3.5h， 生成 2-氯-5-氟-6-甲基吡啶
  参考文献：
  名称：

  6-氯-3-氟-2-吡啶甲酸的合成

  摘要：

  本发明公开了一种6-氯-3-氟-2-吡啶甲酸的合成工艺，所采用的主要起始原料为6-氯-3-氟-2-甲基吡啶。以6-氯-3-氟-2-甲基吡啶为起始原料，稀硫酸为溶剂，重铬酸钾为氧化剂，钨酸钠（Na2WO4·2H2O）及冠醚为组合催化剂，反应完全后，通过常规后处理得到粗品，加热将该粗品溶解于碱性水溶液，用有机溶剂萃取未反应的微量原料及其它杂质，水层用无机酸酸化，冷却结晶，得到6-氯-3-氟-2-吡啶甲酸纯品，收率高，产品品质好。

  公开号：

  CN104003934B

文献信息

• Palladium‐Catalyzed Reductive Carbonylation of (Hetero) Aryl Halides and Triflates Using Cobalt Carbonyl as CO Source
  作者：Bhushanarao Dogga、C. S. Ananda Kumar、Jayan T. Joseph

  DOI：10.1002/ejoc.202001328

  日期：2021.1.15

  A generalized protocol for the reductive carbonylation of (hetero) aryl halides and triflates under CO gas‐free conditions using Pd/Co2(CO)8 and triethylsilane has been developed. The mild reaction conditions, enhanced safety, and wide substrate scope highlight its importance in routine organic synthesis.

  已经开发了一种通用协议，用于在无CO气体条件下使用Pd / Co 2（CO）8和三乙基硅烷对（杂）芳基卤化物和三氟甲磺酸进行还原羰基化。温和的反应条件，增强的安全性和广泛的底物范围突出了其在常规有机合成中的重要性。
• [EN] NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES UTILES EN TANT QU'INHIBITEURS SÉLECTIFS D'AURORA A
  申请人：JACOBIO PHARMACEUTICALS CO LTD

  公开号：WO2021147974A1

  公开（公告）日：2021-07-29

  Provided are compounds of formula (I), or pharmaceutically acceptable salts thereof, which can be used for inhibiting the activity of Aurora A and treating cancer mediated by Aurora A.

  提供的是式（I）的化合物，或其药学上可接受的盐，可用于抑制Aurora A的活性并治疗由Aurora A介导的癌症。
• Isonitrile alkylations: a rapid route to imidazo[1,5-a]pyridines
  作者：Yajun Li、Allen Chao、Fraser F. Fleming

  DOI：10.1039/c5cc08724d

  日期：——

  Metalated isonitriles react with 2-chloropyridine-type electrophiles in an addition–cyclization route to valuable heterocycles.

  金属化异腈与2-氯吡啶类亲电试剂发生加成-环化反应，形成有价值的杂环化合物。
• SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR
  申请人：DREYFUS Nicolas Jacques Francois

  公开号：US20100261762A1

  公开（公告）日：2010-10-14

  A serotonin and norepinephrine reuptake inhibitor of the formula: its uses, and methods for its preparation are described.

  一种谷胺酸和去甲肾上腺素的再摄取抑制剂的配方：描述了其用途和制备方法。
• [EN] cMET INHIBITORS<br/>[FR] INHIBITEURS DE CMET
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010019899A1

  公开（公告）日：2010-02-18

  Compounds of the following formula are provided for use with cMET: wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  提供以下公式的化合物供与cMET一起使用：其中变量如本文所定义。还提供包含这些化合物的药物组合物、试剂盒和制造物品；用于制备这些化合物的有用中间体和方法；以及使用这些化合物的方法。