2-氯-5-三氟甲基-3-吡啶甲醛 | 934279-60-4

• 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: 2-氯-5-三氟甲基-3-吡啶甲醛
• 中文别名: 2-氯-5-(三氟甲基)吡啶-3-甲醛
• 英文名称: 2-chloro-5-(trifluoromethyl)nicotinaldehyde
• 英文别名: 2-chloro-5-(trifluoromethyl)pyridine-3-carbaldehyde
• CAS: 934279-60-4
• 化学式: C₇H₃ClF₃NO
• 分子量: 209.555
• InChiKey: DSJPRZOKABVBLR-UHFFFAOYSA-N

物化性质

• 沸点：
  233.8±35.0 °C(Predicted)
• 密度：
  1.499±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-3-formyl-5-trifluoromethylpyridine
Synonyms: 2-Chloro-5-(trifluoromethyl)pyridine-3-carbaldehyde

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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-3-formyl-5-trifluoromethylpyridine
CAS number: 934279-60-4

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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: C7H3ClF3NO
Molecular weight: 209.6

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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-5-三氟甲基-3-吡啶甲醛 在 sodium tetrahydroborate 、 氯化亚砜 、 sodium hexamethyldisilazane 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(2-(tetrahydrofuran-3-yl)amino-5-(trifluoromethyl)pyridin-3-yl)methyl]oxazolidin-2-one
  参考文献：
  名称：

  [EN] NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  [FR] NOUVEAU DERIVE D'OXAZOLIDINONE COMME INHIBITEUR DE CETP, SON PROCEDE DE PREPARATION, ET COMPOSITION PHARMACEUTIQUE LE COMPRENANT

  摘要：

  本文揭示了一种新型噁唑烷酮衍生物，具有抑制CETP活性的特性，以及其制备方法和包含该衍生物的药物组合物。该噁唑烷酮衍生物表现出优异的抑制CETP活性，可有效应用于预防或治疗各种与CETP酶活性或HDL胆固醇水平相关的疾病，如脂质代谢紊乱、动脉粥样硬化和冠心病。

  公开号：

  WO2014157994A1
• 作为产物：
  描述：

  3-溴-2-氯-5-三氟甲基吡啶 、 N,N-二甲基甲酰胺 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 0.5h， 生成 2-氯-5-三氟甲基-3-吡啶甲醛
  参考文献：
  名称：

  [EN] NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  [FR] NOUVEAU DERIVE D'OXAZOLIDINONE COMME INHIBITEUR DE CETP, SON PROCEDE DE PREPARATION, ET COMPOSITION PHARMACEUTIQUE LE COMPRENANT

  摘要：

  本文揭示了一种新型噁唑烷酮衍生物，具有抑制CETP活性的特性，以及其制备方法和包含该衍生物的药物组合物。该噁唑烷酮衍生物表现出优异的抑制CETP活性，可有效应用于预防或治疗各种与CETP酶活性或HDL胆固醇水平相关的疾病，如脂质代谢紊乱、动脉粥样硬化和冠心病。

  公开号：

  WO2014157994A1

文献信息

• Substituted Pyrrolidines and Methods of Use
  申请人：AbbVie S.à.r.l.

  公开号：US20180099931A1

  公开（公告）日：2018-04-12

  The invention discloses compounds of Formula (I) wherein R 1 , R 2 , R 2A , R 3 , R 3A , R 4 , R 4A , and R 5 are as defined herein. The present invention relates to compounds and their use in the treatment of cystic fibrosis, methods for their production, pharmaceutical compositions comprising the same, and methods of treating cystic fibrosis by administering a compound of the invention.

  该发明公开了式（I）的化合物 其中R 1 ，R 2 ，R 2A ，R 3 ，R 3A ，R 4 ，R 4A 和R 5 如本文所定义。本发明涉及化合物及其在囊性纤维化治疗中的应用，其生产方法，包含相同化合物的药物组合物，以及通过给予该发明的化合物来治疗囊性纤维化的方法。
• [EN] ANTIDIABETIC SPIROCHROMAN COMPOUNDS<br/>[FR] COMPOSÉS DE SPIROCHROMANE ANTIDIABÉTIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2018118670A1

  公开（公告）日：2018-06-28

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are agonists of G-protein coupled receptor 40 (GPR40) and may be useful in the treatment, prevention and suppression of diseases mediated by the G-protein-coupled receptor 40. The compounds of the present invention may be useful in the treatment of Type 2 diabetes mellitus, and of conditions that are often associated with this disease, including obesity and lipid disorders, such as mixed or diabetic dyslipidemia, hyperlipidemia, hypercholesterolemia, and hypertriglyceridemia.

  结构式（I）的新化合物及其药用盐是G蛋白偶联受体40（GPR40）的激动剂，可能在治疗、预防和抑制由G蛋白偶联受体40介导的疾病方面有用。本发明的化合物可能在治疗2型糖尿病以及与该疾病常相关的病症，包括肥胖和脂质紊乱，如混合型或糖尿病性脂质代谢异常、高脂血症、高胆固醇血症和高甘油三酯血症方面有用。
• NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20190144433A1

  公开（公告）日：2019-05-16

  Disclosed herein is a compound of formula (I), or a pharmaceutically acceptable salt thereof: Also disclosed herein are uses of a compound disclosed herein in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising a compound disclosed herein. Further disclosed herein are uses of a composition in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文披露了一种具有化学式（I）的化合物，或其药学上可接受的盐：本文还披露了本文披露的化合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含本文披露的化合物的组合物。本文还披露了组合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。
• Palladium(II)-catalyzed direct annulation of 2-chloronicotinaldehyde with 2-bromothiophenol via novel C(formyl)-C(aryl) coupling strategy
  作者：Mayur I. Morja、Prakashsingh M. Chauhan、Kishor H. Chikhalia

  DOI：10.1007/s11164-021-04536-1

  日期：2021.11

  unprecedented method to the synthesis of 1-azathioxanthone derivatives has been developed by means of palladium-catalyzed C(formyl)-C(aryl) coupling followed by SNAr reaction. Optimization study was carried out through different catalyst, ligand, base and solvent. This approach displays various exclusive characteristics such as operational convenience, moderate to good isolated yields and decent functional

  通过钯催化的 C(甲酰基)-C(芳基)偶联，然后进行 SNAr 反应，开发了一种有效且前所未有的合成 1-硫杂蒽酮衍生物的方法。通过不同的催化剂、配体、碱和溶剂进行优化研究。这种方法显示了各种独特的特性，例如操作方便、中等至良好的分离产率和良好的官能团耐受性。 图形摘要
• CETP inhibitors
  申请人：Sakaki Junichi

  公开号：US20090075968A1

  公开（公告）日：2009-03-19

  The present invention relates to a compound of formula or a pharmaceutically acceptable salt thereof, wherein the variables are as defined.

  本发明涉及一种化合物的公式或其药学上可接受的盐，其中变量的定义如下。