4-氯-8-甲基-2-(三氟甲基)喹啉 | 1701-25-3

• 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-8-甲基-2-(三氟甲基)喹啉
• 英文名称: 4-Chlor-8-methyl-2-trifluormethyl-chinolin
• 英文别名: 4-chloro-8-methyl-2-trifluoromethyl-quinoline；4-chloro-2-trifluoromethyl-8-methylquinoline；4-Chloro-8-methyl-2-(trifluoromethyl)quinoline
• CAS: 1701-25-3
• 化学式: C₁₁H₇ClF₃N
• 分子量: 245.631
• InChiKey: UTYTYFOXVYEJRI-UHFFFAOYSA-N

物化性质

• 熔点：
  71-73 °C
• 沸点：
  258 ºC
• 密度：
  1.376
• 闪点：
  110 ºC

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933499090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Chloro-8-methyl-2-(trifluoromethyl)quinoline
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Chloro-8-methyl-2-(trifluoromethyl)quinoline
CAS number: 1701-25-3

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C11H7ClF3N
Molecular weight: 245.6

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氯-8-甲基-2-(三氟甲基)喹啉 、 4-叔-丁基苯基乙炔 在 palladium diacetate 、 三乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以85%的产率得到4-[2-(4-Tert-butylphenyl)ethynyl]-8-methyl-2-(trifluoromethyl)quinoline
  参考文献：
  名称：

  通过添加氟来增强喹啉的3D结构和刚性骨架的柔韧性的研究，以提高其蓝色发射†

  摘要：

  实现目标应用所需的有机分子结构至关重要。分子间力弱导致的折叠在其3D结构中起着重要的作用。目前，全球的研究人员正在研究使我们能够执行此操作的强大工具。因此，由于喹啉具有刚性的3D结构，因此被选为模型支架。发现添加氟导致结构的柔性增加，并且分子间相互作用的数量减少。这改善了它们的光物理性质和蓝色发射。为了进行这项研究，总共合成了19种新颖的氟喹啉分子。其中，成功地获得并使用了10种化合物的生长晶体。此外，表征技术还包括NMR，HRMS，

  DOI：

  10.1039/c8ce00094h
• 作为产物：
  描述：

  邻甲苯胺 在 三氯氧磷 作用下， 生成 4-氯-8-甲基-2-(三氟甲基)喹啉
  参考文献：
  名称：

  通过添加氟来增强喹啉的3D结构和刚性骨架的柔韧性的研究，以提高其蓝色发射†

  摘要：

  实现目标应用所需的有机分子结构至关重要。分子间力弱导致的折叠在其3D结构中起着重要的作用。目前，全球的研究人员正在研究使我们能够执行此操作的强大工具。因此，由于喹啉具有刚性的3D结构，因此被选为模型支架。发现添加氟导致结构的柔性增加，并且分子间相互作用的数量减少。这改善了它们的光物理性质和蓝色发射。为了进行这项研究，总共合成了19种新颖的氟喹啉分子。其中，成功地获得并使用了10种化合物的生长晶体。此外，表征技术还包括NMR，HRMS，

  DOI：

  10.1039/c8ce00094h

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。
• Proline derivatives and the use thereof as drugs
  申请人：——

  公开号：US20040106655A1

  公开（公告）日：2004-06-03

  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 &ggr;-position of proline represented by the formula (I) 1 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作用的化合物，由于DPP-IV抑制作用而具有满意的药物产品。本发明人发现，具有引入取代基的脯氨酸γ-位置的衍生物，其化学式为(I)1，其中每个符号如规范中所定义，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。
• Fluormethylchinolin-Derivate und ihre Herstellung
  申请人：ALKALOIDA VEGYESZETI GYAR

  公开号：EP0111329A1

  公开（公告）日：1984-06-20

  Die Erfindung betrifft Chinolinderivate der allgemeinen Formel I worin bedeuten: R1 -CF3, -CF2Cl, -CCI3, -CF2Br, -CFBr2 oder -CBr3, R2 Wasserstoff oder Halogen, C1- bis C4-Alkyl oder R1 mit der Maßgabe, daß R1 und R2 nicht gleichzeitig -CCI3 oder -CBr3 sind, R3 Wasserstoff, Halogen oder C1- bis C4-Alkyl, R4 Wasserstoff oder Halogen und X Halogen. sowie Verfahren zu ihrer Herstellung. Die Verbindungen werden durch Fluorieren von Chinolinderivaten erhalten, wobei als Fluorierungsmittel vorzugsweise Antimonfluoride oder Fluorwasserstoff in Gegenwart eines Katalysators verwendet werden. Die erfindungsgemäßen Verbindungen der Formel I eignen sich als Zwischenprodukte bei der Herstellung pharmazeutisch wirksamer fluorhaltiger Chinolinderivate.

  本发明涉及通式 I 的喹啉衍生物 其中 R1 是-CF3、-CF2Cl、-CCI3、-CF2Br、-CFBr2 或-CBr3、 R2 是氢或卤素、C1-至 C4-烷基或 R1，但 R1 和 R2 不能同时是-CCI3 或-CBr3、 R3 是氢、卤素或 C1 至 C4-烷基、 R4 是氢或卤素，以及 X 卤素。 及其制备工艺。 本发明化合物是通过氟化喹啉衍生物得到的，最好在催化剂存在下使用氟化锑或氟化氢作为氟化剂。 根据本发明的式 I 化合物适用于作为制备具有医药活性的含氟喹啉衍生物的中间体。
• PROLINE DERIVATIVES AND USE THEREOF AS DRUGS
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1308439B1

  公开（公告）日：2008-10-15
• POLYMER, METAL REMOVAL COMPOSITION, AND METHOD OF REMOVING METAL IONS
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US20210238415A1

  公开（公告）日：2021-08-05

  A method of removing metal ions is provided, which includes contacting a metal removal composition with a solution containing metal ions for removing the metal ions from the solution, wherein the metal removal composition includes a polymer with a chemical structure of: wherein Q is a quinoline-based group, n=90˜450, o=10˜50, and p=0˜20. The metal removal composition has a type of fiber or film. In addition, the metal removal composition has a porosity of 60% to 90%.