2-(喹啉-8-基)乙酸 | 152150-04-4

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 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: 2-(喹啉-8-基)乙酸
• 英文名称: 2-(quinolin-8-yl)acetic acid
• 英文别名: Quinolin-8-yl-acetic acid；2-quinolin-8-ylacetic acid
• CAS: 152150-04-4
• 化学式: C₁₁H₉NO₂
• mdl: MFCD08691265
• 分子量: 187.198
• InChiKey: HXXDDZQNKIORGO-UHFFFAOYSA-N

物化性质

• 熔点：
  132-133 °C(Solv: ligroine (8032-32-4))
• 沸点：
  388.8±17.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933499090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Quinolin-8-yl-acetic acid
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: Quinolin-8-yl-acetic acid
CAS number: 152150-04-4

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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: C11H9NO2
Molecular weight: 187.2

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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.

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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-(喹啉-8-基)乙酸 在 乙醚 作用下， 生成 [8]喹啉基-乙酸二乙基酰胺
  参考文献：
  名称：

  Adams et al., Journal of the Chemical Society, 1957, p. 3066,3068

  摘要：

  DOI：
• 作为产物：
  描述：

  8-喹啉基乙腈 在 氢氧化钾 作用下， 生成 2-(喹啉-8-基)乙酸
  参考文献：
  名称：

  关于杂环羧酸的一些衍生物I.金属离子和生物学效应，第16部分

  摘要：

  已经制备了以下酸的酰胺和取代的酰胺：吡啶甲酸，异烟酸，喹啉-8-碳酸和喹啉-8-乙酸。

  DOI：

  10.1002/hlca.19540370110

文献信息

• [EN] PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF<br/>[FR] INHIBITEURS DE LA PRMT5 CONTENANT UNE DIHYDRO- OU TÉTRAHYDRO-ISOQUINOLÉINE ET LEURS UTILISATIONS
  申请人：EPIZYME INC

  公开号：WO2014100730A1

  公开（公告）日：2014-06-26

  Described herein are compounds of Formula (A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5- mediated disorders are also described.

  本文描述了式（A）的化合物，其药学上可接受的盐以及药物组合物。本发明的化合物对抑制PRMT5活性是有用的。还描述了利用这些化合物治疗PRMT5介导的疾病的方法。
• PRMT5 INHIBITORS AND USES THEREOF
  申请人：Duncan Kenneth W.

  公开号：US20190083482A1

  公开（公告）日：2019-03-21

  Described herein are compounds of Formula (I), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5-mediated disorders are also described.

  本文描述了式（I）的化合物，其药学上可接受的盐以及药物组合物。本发明的化合物对抑制PRMT5活性是有用的。还描述了利用这些化合物治疗PRMT5介导的疾病的方法。
• [EN] INHIBITORS OF JUN N-TERMINAL KINASE<br/>[FR] INHIBITEURS DE L'ENZYME JUN N-TERMINAL KINASE
  申请人：ELAN PHARM INC

  公开号：WO2010091310A1

  公开（公告）日：2010-08-12

  The present disclosure provides inhibitors of c-Jun N-terminal kinases (JNK) having a structure according to the following formula (I): or a salt or solvate thereof, wherein ring A, Ca, Cb, Z, R5, W and Cy are defined herein. The disclosure further provides pharmaceutical compositions including the compounds of the present disclosure and methods of making and using the compounds and compositions of the present disclosure, e.g., in the treatment and prevention of various disorders, such as Alzheimer's disease.

  本公开提供了具有以下结构的c-Jun N-末端激酶（JNK）抑制剂（I）的结构，或其盐或溶剂化物，其中环A，Ca，Cb，Z，R5，W和Cy在此处定义。本公开还提供了包括本公开化合物的药物组合物，以及制备和使用本公开化合物和组合物的方法，例如在治疗和预防各种疾病，如阿尔茨海默病。
• Carboxylation of a Palladacycle Formed via C(sp ³ )−H Activation: Theory‐Driven Reaction Design
  作者：Wataru Kanna、Yu Harabuchi、Hideaki Takano、Hiroki Hayashi、Satoshi Maeda、Tsuyoshi Mita

  DOI：10.1002/asia.202100989

  日期：2021.12.13

  Theory-driven synthetic approaches represent highly efficient strategies for developing new organic transformations. We herein disclose a new carboxylation method of a stable five-membered palladacycle(II) with CO2. Initially, we computationally investigated potential carboxylation pathways to reveal that the reduction of Pd(II) to Pd(I) is crucial to promote the insertion of CO2. Based on the computational results

  理论驱动的合成方法代表了开发新有机转化的高效策略。我们在此公开了稳定的五元钯环(II)与CO 2的新羧化方法。最初，我们通过计算研究了潜在的羧化途径，以揭示 Pd(II) 还原为 Pd(I) 对促进 CO 2的插入至关重要。根据计算结果，我们通过使用单电子还原剂（如 Cp* 2 Co）、光氧化还原催化剂和电解进行实验，以高达 90% 的产率获得目标产物。
• Über einige Derivate heterocyclischer Carbonsäuren IV. Metallionen und biologische Wirkung, 36. Mitteilung
  作者：R. Gall、H. Erlenmeyer

  DOI：10.1002/hlca.19550380614

  日期：——

  Es wurden einige 8-substituierte Chinolinderivate synthetisiert.

  Es wurden einige 8取代Chinolinderivate合成。