4-溴-2-氯-3-甲基吡啶 | 128071-86-3

• 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: 4-溴-2-氯-3-甲基吡啶
• 中文别名: 2-氯-4-溴-3-甲基吡啶；吡啶,4-溴-2-氯-3-甲基；2-氯-3-甲基-4-溴吡啶；吡啶, 4-溴-2-氯-3-甲基-
• 英文名称: 4-bromo-2-chloro-3-methylpyridine
• CAS: 128071-86-3
• 化学式: C₆H₅BrClN
• 分子量: 206.469
• InChiKey: XOHGSWUURFCOIL-UHFFFAOYSA-N

物化性质

• 沸点：
  249.7±35.0℃ (760 Torr)
• 密度：
  1.624±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  104.8±25.9℃

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,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: 4-Bromo-2-chloro-3-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: 4-Bromo-2-chloro-3-methylpyridine
CAS number: 128071-86-3

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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.
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-3-甲基吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 tris-(dibenzylideneacetone)dipalladium(0) 、 N-碘代丁二酰亚胺 、 四(三苯基膦)钯 、 溴 、 sodium acetate 、 sodium carbonate 、 caesium carbonate 、 溶剂黄146 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 11.5h， 生成 4-(6-((1-cyclopentyl-3-(1-ethoxyvinyl)-4,8-dimethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-7-yl)amino)pyridin-3-yl)piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  嘧啶或吡啶并吡啶酮类化合物及其制备方法 和应用

  摘要：

  本发明公开了一种式Ⅰ所示的嘧啶或吡啶并吡啶酮类化合物及其制备方法和应用，属于药物制备技术领域。该类化合物具有高效及选择性的抑制细胞周期依赖性激酶(Cdks)CDK4和CDK6的活性，进而通过抑制CDK4/CDK6阻止肿瘤细胞分裂。因此，本发明的化合物能够用于CDK4和CDK6所参与细胞周期控制失调导致各种疾病，特别适用于恶性肿瘤的治疗。

  公开号：

  CN105622638B
• 作为产物：
  描述：

  3-溴-2-氯吡啶 、 碘甲烷 在 正丁基锂 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以51 %的产率得到4-溴-2-氯-3-甲基吡啶
  参考文献：
  名称：

  2,3-二卤代吡啶的连续流动发散锂化：脱原锂化与卤素舞

  摘要：

  报道了 2,3-二卤代吡啶的不同锂化。利用连续流动技术，进行去原石化或卤素舞。随后用各种亲电试剂捕获后，以优异的产率和选择性获得了两种区域异构体的 25 个实例。最后，这种方法被放大并获得了有希望的时空产率。

  DOI：

  10.1002/chem.202202286

文献信息

• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON ET LEURS PROCÉDÉS D'UTILISATION
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018103058A1

  公开（公告）日：2018-06-14

  Compounds of formula (I') and methods of their use and preparation, as well as compositions comprising compounds of formula (I').

  公式（I'）的化合物及其使用和制备方法，以及包含公式（I'）化合物的组合物。
• IMIDAZOPYRIMIDINE DERIVATIVES
  申请人：Gilead Sciences, Inc.

  公开号：US20200108071A1

  公开（公告）日：2020-04-09

  The present disclosure provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula I, processes for preparing compounds of Formula I, therapeutic methods for treating cancers.

  本公开提供了一种如下式（I）的化合物： 或其药学上可接受的盐。本公开还提供了包含如下式I的化合物的药物组合物，制备如下式I的化合物的方法，以及治疗癌症的治疗方法。
• 作为FGFR4抑制剂的杂环化合物
  申请人：齐鲁制药有限公司

  公开号：CN112341431A

  公开（公告）日：2021-02-09

  本发明提供了作为成纤维细胞生长因子受体4(FGFR4)选择性抑制剂的杂环化合物，含有所述化合物的药物组合物，所述化合物的制备方法和以及利用本发明化合物治疗细胞增殖性疾病，例如癌症的方法。
• Catalytic Enantioselective Synthesis of a <i>cis</i>-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp³–Csp² Cross-Coupling to Access Elusive <i>trans</i>-β-Aryl/Heteroaryl Cyclobutylcarboxyesters
  作者：Kevin Nguyen、Helen A. Clement、Louise Bernier、Jotham W. Coe、William Farrell、Christopher J. Helal、Matthew R. Reese、Neal W. Sach、Jack C. Lee、Dennis G. Hall

  DOI：10.1021/acscatal.0c04520

  日期：2021.1.1

  larger ring substrates. The cis diastereoselectivity is proposed to arise from a sterically controlled, irreversible protodecupration step. A highly diastereoselective nickel/photoredox dual-catalyzed Csp3–Csp2 cross-coupling of the corresponding trifluoroborate salt with aryl/heteroaryl bromides and cycloalkenyl nonaflates was developed, providing access to a wide diversity of trans-β-aryl/heteroaryl and

  手性环丁烷是许多生物活性天然产物的组成部分，因此，它们在药物化学中也引起了极大关注。通过利用硼酰基官能团的多功能性，光学富集的环丁基硼酸酯可以用作有价值的合成中间体，用于合成多种手性环丁烷。在本文中，通过使用高通量配体筛选方法，优化了用于环丁烯1-羧基酯不对称共轭硼酸酯化的有效方法，从而得到了高度对映体富集的顺式-β-硼酰基环丁基羧基酯支架（99％ee，> 20：1 dr）。在筛选的118种配体中，发现膦-恶唑啉配体的Naud家族是最有效的。可能的插入前配合物的计算模型显示出对π键结合的Cu（I）-烯烃配合物的偏爱，其中底物的大苯甲基酯在空间紧密的环境中对手性配体的象限相对无阻碍，对环丁烯酸酯具有高度特异性底物，对较大的环状底物具有较低的选择性。有人提出，顺式非对映选择性是由空间控制的，不可逆的原型分解步骤引起的。高度非对映选择性的镍/光氧化还原双催化Csp 3 –Csp 2研究了相应的三
• Inhibitors of Bruton's tyrosine kinase and methods of their use
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US10689396B2

  公开（公告）日：2020-06-23

  The present disclosure is directed to compounds of formula I′ and methods of their use and preparation, as well as compositions comprising compounds of formula I′.

  本公开涉及式 I′化合物及其使用和制备方法，以及包含式 I′化合物的组合物。