4-氯-6-甲氧基-2-(三氟甲基)喹啉 | 1701-27-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-氯-6-甲氧基-2-(三氟甲基)喹啉
• 英文名称: 4-Chlor-6-methoxy-2-trifluormethyl-chinolin
• 英文别名: 4-chloro-6-methoxy-2-trifluoromethyl-quinoline；2-trifluoromethyl-4-chloro-6-methoxyquinoline；4-chloro-2-trifluoromethyl-6-methoxyquinoline；4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline
• CAS: 1701-27-5
• 化学式: C₁₁H₇ClF₃NO
• mdl: MFCD11855899
• 分子量: 261.631
• InChiKey: RVBOGCSHKBTGDA-UHFFFAOYSA-N

物化性质

• 熔点：
  105-107 °C
• 沸点：
  280.7±35.0 °C(Predicted)
• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933499090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline
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-Chloro-6-methoxy-2-(trifluoromethyl)quinoline
CAS number: 1701-27-5

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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: C11H7ClF3NO
Molecular weight: 261.6

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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：

  4-氯-6-甲氧基-2-(三氟甲基)喹啉 在 铂 作用下， 以to give 6-methoxy-2-trifluoromethyltetrahydroquinoline的产率得到6-Methoxy-2-trifluoromethyltetrahydroquinoline
  参考文献：
  名称：

  Substituted benzo[ij]quinolinzine-2-carboxylic acids and derivatives

  摘要：

  本文介绍了某些取代的6,7-二氢-1-氧代-1H,5H-苯并[ij]-喹啉-2-羧酸及其肼、酯、酰胺和盐，其中间体及其制备方法；这些化合物具有抗微生物活性。

  公开号：

  US03985882A1
• 作为产物：
  描述：

  甲氧苯胺 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 4-氯-6-甲氧基-2-(三氟甲基)喹啉
  参考文献：
  名称：

  2-三氟甲基-4-氨基-喹啉衍生物及其用途

  摘要：

  本发明公开了一种2‑三氟甲基‑4‑氨基‑喹啉衍生物及其用途，包括具有如下通式I所示的化合物，本发明制得的化合物用于制备抗肿瘤的活性药物，具有良好的抗肿瘤效果，而且稳定性与脂溶性大大提高，代谢能力不受影响，且药物用量少，副作用小、安全性高。

  公开号：

  CN113620874A

文献信息

• Proline derivatives and use thereof as drugs
  申请人：Kitajima Hiroshi

  公开号：US20050245538A1

  公开（公告）日：2005-11-03

  The present invention aims at providing compounds having therapeutic effects due to a DPP-IV inhibitory action, and satisfactory as pharmaceutical products. The present inventors have found that derivatives having a substituent introduced into the γ-position of proline represented by the formula (I) wherein each symbol is as defined in the specification, have a potent DPP-IV inhibitory activity, and completed the present invention by increasing the stability.

  本发明旨在提供具有治疗效果的化合物，其作用是通过DPP-IV的抑制作用，并且作为药物产品具有令人满意的效果。本发明人发现，在丙氨酸的γ位上引入取代基的衍生物具有强效的DPP-IV抑制活性，并通过增加稳定性完成了本发明。
• N-methylene malonate of tetrahydroquinoline and derivatives thereof
  申请人：Riker Laboratories, Inc.

  公开号：US03969463A1

  公开（公告）日：1976-07-13

  Certain substituted 6,7-dihydro-1-oxo-1H,5H-benzo[ij]-quinolizine-2-carboxylic acids and hydrazides, esters, amides and salts thereof, intermediates therefor, and a process for their preparation are described; the compounds are active as anti-microbial agents.

  本文描述了某些取代的6,7-二氢-1-氧代-1H,5H-苯并[ij]-喹啉-2-羧酸及其肼衍生物、酯、酰胺和盐，中间体以及它们的制备方法。这些化合物具有抗微生物活性。
• Thiazolidine derivative and medicinal use thereof
  申请人：——

  公开号：US20040259883A1

  公开（公告）日：2004-12-23

  A thiazolidine derivative represented by the formula (I) 1 wherein each symbol is as defined in the specification, and a pharmaceutically acceptable salt thereof exhibit a potent DPP-IV inhibitory activity, and can be provided as an agent for the prophylaxis or treatment of diabetes, an agent for the prophylaxis or treatment of obesity and the like.

  一种噻唑啉衍生物，其化学式为(I)1，其中每个符号如规范中所定义，其药物可接受的盐具有强效的DPP-IV抑制活性，可作为糖尿病的预防或治疗剂，肥胖症的预防或治疗剂等。
• Substituted benzo[ij]quinolinzine-2-carboxylic acids and derivatives
  申请人：Riker Laboratories, Inc.

  公开号：US03985882A1

  公开（公告）日：1976-10-12

  Certain substituted 6,7-dihydro-1-oxo-1H,5H-benzo[ij]-quinolizine-2-carboxylic acids and hydrazides, esters, amides and salts thereof, intermediates therefor, and a process for their preparation are described; the compounds are active as anti-microbial agents.

  本文介绍了某些取代的6,7-二氢-1-氧代-1H,5H-苯并[ij]-喹啉-2-羧酸及其肼、酯、酰胺和盐，其中间体及其制备方法；这些化合物具有抗微生物活性。
• Substituted benzo(ij)quinolizine-2-carboxylic acids and derivatives
  申请人：Riker Laboratories, Inc.

  公开号：US04001243A1

  公开（公告）日：1977-01-04

  Certain substituted 6,7-dihydro-1-oxo-1H,5H-benzo[ij]-quinolizine-2-carboxylic acids and hydrazides, esters, amides and salts thereof, intermediates therefor, and a process for their preparation are described; the compounds are active as anti-microbial agents.

  本文描述了某些取代的6,7-二氢-1-氧代-1H,5H-苯并[ij]-喹啉-2-羧酸及其肼、酯、酰胺和盐，其中间体以及其制备方法；这些化合物作为抗微生物剂具有活性。