4-溴-2-氯-6-甲基吡啶 | 1206250-53-4

• 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: 4-溴-2-氯-6-甲基吡啶
• 英文名称: 4-bromo-2-chloro-6-methylpyridine
• CAS: 1206250-53-4
• 化学式: C₆H₅BrClN
• 分子量: 206.469
• InChiKey: VZKVJDPXLSTENW-UHFFFAOYSA-N

物化性质

• 沸点：
  238℃
• 密度：
  1.624
• 闪点：
  98℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H320,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-6-chloropicoline
Synonyms: 4-Bromo-2-chloro-6-methylpyridine

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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: 4-Bromo-6-chloropicoline
CAS number: 1206250-53-4

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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, under −20◦C.
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: C6H5BrClN
Molecular weight: 206.5

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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, hydrogen bromide.

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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：

  4-溴-2-氯-6-甲基吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 caesium carbonate 、 L-脯氨酸 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 18.0h， 生成 (3R,4R)-3-[(1R)-1-[4-[[4-(3-fluoroazetidin-1-yl)-6-methyl-2-pyridyl]oxymethyl]phenyl]ethyl]-3,4-dimethylpyrrolidin-2-one
  参考文献：
  名称：

  [EN] CGRP ANTIGONISTS USEFUL AS TRACER COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY
  [FR] ANTIGONISTES CGRP UTILES EN TANT QUE COMPOSÉS TRACEURS POUR LA TOMOGRAPHIE PAR ÉMISSION DE POSITRONS

  摘要：

  本发明提供了I式化合物：其中R1为氢，F或18F; R2为氢，F或18F; 或其药学上可接受的盐，但当R1为18F时，R2不为18F，用作CGRP受体拮抗剂进行PET成像。

  公开号：

  WO2021118887A1
• 作为产物：
  描述：

  4-溴-6-甲基-2(1h)-吡啶酮 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 以67.9%的产率得到4-溴-2-氯-6-甲基吡啶
  参考文献：
  名称：

  4-溴-6-氯吡啶-2-羧酸的制备方法

  摘要：

  本发明涉及一种4‑溴‑6‑氯吡啶‑2‑羧酸的制备方法，该4‑溴‑6‑氯吡啶‑2‑羧酸的制备方法包括以下步骤：2,4‑二羟基‑6‑甲基吡啶与三溴氧磷、五溴化磷或四丁基溴化铵中的一种进行一级取代反应生成2‑羟基‑4‑溴‑6‑甲基吡啶；2‑羟基‑4‑溴‑6‑甲基吡啶与三氯氧磷或五氯化磷进行二级取代反应生成4‑溴‑6‑甲基‑2‑吡啶；4‑溴‑6‑甲基‑2‑吡啶上的甲基氧化反应生成4‑溴‑6‑氯吡啶‑2‑羧酸，该4‑溴‑6‑氯吡啶‑2‑羧酸的制备方法原料廉价易得，反应过程中，无需柱层析纯化，操作简便。

  公开号：

  CN112047878B

文献信息

• [EN] HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DU CANCER
  申请人：ARTIOS PHARMA LTD

  公开号：WO2021028643A1

  公开（公告）日：2021-02-18

  The application relates to heterocyclic amide derivatives and their use in the treatment and prophylaxis of cancer, and to compositions containing said derivatives and processes for their preparation. (Formula (I))

  该申请涉及杂环酰胺衍生物及其在癌症治疗和预防中的应用，以及含有这些衍生物的组合物和其制备方法。(化学式(I))
• HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：US20160221998A1

  公开（公告）日：2016-08-04

  Provided are: a heterocyclic amide compound represented by formula (1); and a herbicide containing the heterocyclic amide compound. In the formula, G represents a group represented by formula (G-1) or (G-2); each of W and W 1 independently represents an oxygen atom or the like; each of Z 1 and Z a1 represents a phenyl group or the like; Z 2 represents an aromatic heterocycle; each of R 1 and R 2 independently represents a C 1 -C 6 alkyl group or the like; R 3 represents a hydrogen atom, a C 1 -C 6 alkyl group or the like; and each of R 4 , R a4 , R 5 , R a5 , R 6 , R a6 and R 7 independently represents a hydrogen atom or the like.

  提供的是由式（1）表示的杂环酰胺化合物；以及含有该杂环酰胺化合物的除草剂。在该式中，G代表由式（G-1）或（G-2）表示的基团；W和W1各自独立地代表氧原子或类似物；Z1和Za1各自代表苯基或类似物；Z2代表芳香杂环；R1和R2各自独立地代表C1-C6烷基或类似物；R3代表氢原子、C1-C6烷基或类似物；R4、Ra4、R5、Ra5、R6、Ra6和R7各自独立地代表氢原子或类似物。
• [EN] INDOLIN-2-ONE OR PYRROLO-PYRIDIN-2-ONE DERIVATIVES<br/>[FR] DÉRIVÉS D'INDOLIN-2-ONE OU DE PYRROLOPYRIDIN-2-ONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015197567A1

  公开（公告）日：2015-12-30

  The present invention is concerned with 2-oxo-2,3-dihydro-indoles of general formula (I) wherein Ar1 is phenyl or a five or six membered heteroaryl group, containing one, two or three heteroatoms, selected from N, S or O, wherein the N-heteroatom in the heteroaryl group may be oxidized to N+-(O-); R1 is lower alkyl, halogen, cyano or cycloalkyl; Ar2 is a five or six membered heteroaryl group, containing one, two, three or four heteroatoms, selected from N, S or O, wherein the N-heteroatom in the heteroaryl group may be oxidized to N+-(O-), or is benzo[b]thiophenyl; R2 is hydrogen, lower alkyl, halogen, cyano, lower alkyl substituted by hydroxyl, lower alkyl substituted by halogen, lower alkyl substituted by amino, lower alkyl substituted by alkoxy, lower alkyl substituted by amide, or is cycloalkyl; X is CH or N; n is 1 or 2; m is 1 or 2; as well as with a pharmaceutically acceptable salt thereof, with a racemic mixture, or with its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. The compounds may be used in the treatment of CNS diseases related to positive (psychosis) and negative symptoms of schizophrenia, substance abuse, alcohol and drug addiction, obsessive-compulsive disorders, cognitive impairment, bipolar disorders, mood disorders, major depression, treatment resistant depression, anxiety disorders, Alzheimer's disease, autism, Parkinson's disease, chronic pain, borderline personality disorder, neurodegenerative disease, sleep disturbances, chronic fatigue syndrome, stiffness, inflammatory disease, asthma, Huntington's disease, ADHD, amyotrophic lateral sclerosis, epilepsy, effects in arthritis, autoimmune disease, viral and fungal infections, cardiovascular diseases, ophthalmology and inflammatory retinal diseases and balance problems.

  本发明涉及一般式（I）的2-氧代-2,3-二氢吲哚，其中Ar1为苯基或含有一个、两个或三个异原子（N、S或O）的五元或六元杂环芳基，其中杂环芳基中的N-异原子可以被氧化为N+-(O-)；R1为低碳基、卤素、氰基或环烷基；Ar2为含有一个、两个、三个或四个异原子（N、S或O）的五元或六元杂环芳基，其中杂环芳基中的N-异原子可以被氧化为N+-(O-)，或者为苯并[ｂ]噻吩基；R2为氢、低碳基、卤素、氰基、被羟基取代的低碳基、被卤素取代的低碳基、被氨基取代的低碳基、被烷氧基取代的低碳基、被酰胺取代的低碳基，或者为环烷基；X为CH或N；n为1或2；m为1或2；以及其药学上可接受的盐、消旋体混合物、或其对映体和/或光学异构体和/或立体异构体。这些化合物可用于治疗与精神病（精神病）、精神分裂症的阳性和阴性症状、物质滥用、酒精和药物成瘾、强迫症、认知障碍、躁郁症、情感障碍、重度抑郁症、治疗难治性抑郁症、焦虑障碍、阿尔茨海默病、自闭症、帕金森病、慢性疼痛、边缘人格障碍、神经退行性疾病、睡眠障碍、慢性疲劳综合征、僵硬、炎症性疾病、哮喘、亨廷顿病、注意力缺陷多动障碍、肌萎缩侧索硬化症、癫痫、关节炎作用、自身免疫疾病、病毒和真菌感染、心血管疾病、眼科学和炎症性视网膜疾病以及平衡问题相关的中枢神经系统疾病的治疗。
• Design, Synthesis, and Structure–Activity Relationships Study of &lt;i&gt;N&lt;/i&gt;-Pyrimidyl/Pyridyl-2-thiazolamine Analogues as Novel Positive Allosteric Modulators of M&lt;sub&gt;3&lt;/sub&gt; Muscarinic Acetylcholine Receptor
  作者：Hiroaki Tanaka、Michinori Akaiwa、Kenji Negoro、Eiji Kawaminami、Hisashi Mihara、Hideyoshi Fuji、Risa Okimoto、Katsutoshi Ino、Kenichiro Ishizu、Taisuke Takahashi

  DOI：10.1248/cpb.c20-00877

  日期：2021.4.1

  derivative 1, a previously reported PAM of the M3 mAChR, we successfully identified N-pyrimidyl/pyridyl-2-thiazolamine analogues as new scaffolds. The SARs study was rationalized using conformational analyses based on intramolecular interactions. A comprehensive study of a series of analogues described in this paper suggests that a unique sulfur–nitrogen nonbonding interaction in the N-pyrimidyl/pyridyl-2-thiazolamine

  M 3毒蕈碱型乙酰胆碱受体（mAChR）在介导在整个周围和中枢神经系统（CNS）中释放的乙酰胆碱（ACh）的多种作用中起着重要的药理作用。然而，由于缺乏可用的亚型选择性激动剂或正构构调节剂（PAM），其激动功能仍不清楚。在我们对2-酰基氨基噻唑衍生物1（先前报道的M 3 mAChR的PAM ）进行扩展的结构-活性关系（SAR）研究过程中，我们成功鉴定出N-嘧啶基/吡啶基-2-噻唑胺类似物作为新的支架。使用基于分子内相互作用的构象分析对SARs研究进行了合理化。对本文描述的一系列类似物的全面研究表明，N-嘧啶基/吡啶基-2-噻唑胺部分中独特的硫-氮非键相互作用可实现活性必不可少的构象。此外，围绕N-嘧啶基/吡啶基-2-噻唑胺核心的SARs研究最终发现了化合物3g，该化合物对M 3 mAChR具有强大的体外PAM活性，并具有出色的亚型选择性。复方3g还显示出对大鼠膀胱分离的平滑肌组织具有明显的
• [EN] MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE L'OREXINE D'URÉE MACROCYCLIQUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2022094012A1

  公开（公告）日：2022-05-05

  The present invention is directed to macrocyclic urea compounds which are agonists of orexin receptors. 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 orexin 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 orexin receptors are involved.

  本发明涉及宏环脲化合物，其是睡觉醒来素受体的激动剂。本发明还涉及所述化合物在潜在的涉及睡觉醒来素受体的神经和精神障碍和疾病的治疗或预防中的用途。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涉及睡觉醒来素受体的这些疾病的预防或治疗中的用途。