2-氯-4-(氯甲基)吡啶 | 101990-73-2

• 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-氯-4-(氯甲基)吡啶
• 英文名称: 2-chloro-4-(chloromethyl)pyridine
• 英文别名: 2-chloro-pyridin-4-ylmethyl chloride
• CAS: 101990-73-2
• 化学式: C₆H₅Cl₂N
• mdl: MFCD09991655
• 分子量: 162.018
• InChiKey: QELZCGMVHLQNSO-UHFFFAOYSA-N

物化性质

• 熔点：
  123-125℃
• 沸点：
  51 °C(Press: 0.9 Torr)
• 密度：
  1.324

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  1
• 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：
  1

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P264,P280,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338+P310,P405
• 危险品运输编号：
  3265
• 危险性描述：
  H314
• 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-Chloro-4-(chloromethyl)pyridine
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-4-(chloromethyl)pyridine
CAS number: 101990-73-2

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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: C6H5Cl2N
Molecular weight: 162.0

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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-氯-4-(氯甲基)吡啶 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 35.5h， 生成 1-{4-[(5-methyl-3-{3-[4-(tetrahydro-2H-pyran-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-1-yl)methyl]pyridin-2-yl}piperazine formate
  参考文献：
  名称：

  HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS

  摘要：

  本申请涉及具有杂环取代基的新型芳基化合物，其制备方法，它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应缺氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步治疗措施结合使用。

  公开号：

  US20130196964A1
• 作为产物：
  描述：

  2-氯吡啶-4-甲酰氯 在 sodium tetrahydroborate 、 氯化亚砜 作用下， 以 水 、 甲苯 为溶剂， 以43%的产率得到2-氯-4-(氯甲基)吡啶
  参考文献：
  名称：

  Synthesis and biological evaluation of indomethacin analogs possessing a N-difluoromethyl-1,2-dihydropyrid-2-one ring system: A search for novel cyclooxygenase and lipoxygenase inhibitors

  摘要：

  A novel class of indomethacin analogs were synthesized wherein a N-difluoromethyl-1,2-dihydropyrid-2-one moiety (5-LOX pharmacophore) was attached at its C-4 or C-5 position via either a C=O (14a-b) or CH2 (19a-b) linker to the indole N-1-position. In this regard, replacement of the 4-chlorobenzoyl group present in indomethacin by N-difluoromethyl-1,2-dihydropyrid-2-one-4-(or 5-)carbonyl and N-difluoromethyl-1,2-dihydropyrid-2-one-4-yl(or 5-yl)methylene moieties furnished compounds showing no inhibitory activities against the COX-2/5-LOX enzymes (except for the weak but selective COX-2 inhibitor 19a, COX-2 IC50 = 31 mu M), and moderate in vivo anti-inflammatory activities (except for the methylene compound 19a that was inactive). These structure-activity data indicate replacement of the 4-chlorobenzoyl group present in indomethacin by a N-difluoromethyl-1,2-dihydropyrid-2-one ring system connected by a C=O or CH2 linker is not a suitable approach for the design of dual COX-2/5-LOX inhibitory analogs of indomethacin. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.132

文献信息

• Synthesis of a Novel Re(I)-Ru(II)-Re(I) Trinuclear Complex as an Effective Photocatalyst for CO₂ Reduction
  作者：Akinari Umemoto、Yasuomi Yamazaki、Daiki Saito、Yusuke Tamaki、Osamu Ishitani

  DOI：10.1246/bcsj.20190284

  日期：2020.1.15

  Supramolecular photocatalysts, which consist of redox photosensitizer and catalyst units, have recently attracted attention in the field of artificial photosynthesis. Aiming to construct a durable supramolecular photocatalyst for CO2 reduction, a new Re–Ru–Re trinuclear complex was successfully developed, where one Ru unit, acting as photosensitizer, was linked to two Re units, acting as catalysts, through ethylene chains. The novel complex was synthesized by creating two chelate moieties on the ligand of a Ru complex using the Negishi-coupling reaction, which were then coordinated to Re complexes. This trinuclear complex selectively photocatalyzed the reduction of CO2 to CO under visible light irradiation, with high durability compared with the corresponding Ru–Re binuclear complex and a mixed system of model mononuclear complexes. Absorption spectra and mass spectroscopic data of the reaction solutions revealed a rapid consumption of the electrons on the one-electron reduced species of the Ru unit, which led to suppression of the Ru unit decomposition, thereby maintaining its photosensitizing ability and product selectivity.

  超分子光催化剂由氧化还原光敏剂和催化单元组成，在人工光合作用领域近期受到了关注。为了构建用于CO2还原的长效超分子光催化剂，成功开发了一种新型Re–Ru–Re三核络合物，其中一个作为光敏剂的Ru单元通过乙烯链连接到两个作为催化剂的Re单元。这一新颖的络合物通过Negishi偶联反应在Ru络合物的配体上创建了两个螯合基团，随后与Re络合物结合而合成。该三核络合物在可见光照射下选择性光催化CO2还原为CO，相比于相应的Ru–Re双核络合物和单核络合物模型混合体系，具有更高的耐久性。反应溶液的吸收光谱和质谱数据显示，Ru单元的一电子还原物种上的电子迅速消耗，导致Ru单元的分解受到抑制，从而维持了其光敏化能力和产品选择性。
• Macrocyclic kinase inhibitors
  申请人：Lin Nan-Horng

  公开号：US20050215556A1

  公开（公告）日：2005-09-29

  Compounds having the formula are useful for inhibiting protein kinases. Also disclosed are methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  具有以下化学式的化合物对抑制蛋白激酶很有用。还公开了制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS
  申请人：Härter Michael

  公开号：US20110301122A1

  公开（公告）日：2011-12-08

  The present application relates to novel substituted aryl compounds, processes for their preparation, their use for treatment and/or prevention of diseases and their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及新型取代芳基化合物，其制备方法，它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应缺氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步的治疗措施结合使用。
• INDOLE CARBOXAMIDE COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160115126A1

  公开（公告）日：2016-04-28

  Disclosed are compounds of Formula (I): or a salt thereof, wherein: X is CR 4 or N; R 1 , R 2 , R 3 , R 4 , and A are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bruton's tyrosine kinase (Btk), and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  揭示了Formula (I)的化合物： 或其盐，其中：X为CR 4 或N；R 1 ，R 2 ，R 3 ，R 4 和A在此处定义。还揭示了使用这些化合物作为Bruton's酪氨酸激酶（Btk）抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓各种治疗领域的疾病或疾病的进展方面非常有用，如自身免疫疾病和血管疾病。
• Aryl compounds with aminoalkyl substituents and their use
  申请人：Härter Michael

  公开号：US20110312930A1

  公开（公告）日：2011-12-22

  The present application relates to novel aryl compounds with aminoalkyl substituents, to processes for their preparation, to their use for treatment and/or prevention of diseases and to their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及具有氨基烷基取代基的新型芳基化合物，涉及其制备方法，涉及它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应低氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步的治疗措施结合使用。