2-丙氧基喹啉 | 945-83-5

• 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: 2-丙氧基喹啉
• 英文名称: 2-propoxyquinoline
• 英文别名: 2-propoxy-quinoline；2-Propyloxyquinoline；2-Propyloxyquinolin；2-Propoxy-chinolin
• CAS: 945-83-5
• 化学式: C₁₂H₁₃NO
• mdl: MFCD18783197
• 分子量: 187.241
• InChiKey: NNWTYSZJLCDUDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

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: 2-Propoxyquinoline
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-Propoxyquinoline
CAS number: 945-83-5

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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: C12H13NO
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-丙氧基喹啉 在 正丁基锂 、 [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride 、 potassium tert-butylate 、 水 、 氯化铵 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 、 异丙醇 为溶剂， 反应 20.0h， 生成 5-Propan-2-yl-7-(2-propoxyquinolin-3-yl)-2-pyrrolidin-1-ylquinoline
  参考文献：
  名称：

  Synthesis and biological activities of polyquinoline derivatives: New Bcl-2 family protein modulators

  摘要：

  The synthesis of quinoline derivatives, designed to interact with BCl-x(L), and to inhibit its interaction with pro-apoptotic partners, is described and their biological effects investigated. We showed that 5 out of 28 synthetized compounds restored cell death of 3T3 cells overexpressing Bcl-x(L) following serum starvation. Active compounds were further characterized for their binding capacity to the anti-apoptotic member of the Bcl-2 family, Bcl-x(L) as well as Bcl-2, Bcl-x(L) and Mcl-1, and for their pro-apoptotic activities toward lymphoid tumor cells and peripheral blood mononuclear cells. Altogether our results indicate that dimeric, rather than trimeric quinoline derivatives, represent a new attractive class of BH3 mimetics for cancer therapy. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.09.012
• 作为产物：
  描述：

  2-氯喹啉 、 sodium n-propoxide 以 丙醇 为溶剂， 反应 4.0h， 以96%的产率得到2-丙氧基喹啉
  参考文献：
  名称：

  新的三聚喹啉衍生物的合成和分子建模研究

  摘要：

  二聚和三聚喹啉衍生物最近已被描述为Bcl-2家族蛋白相互作用的潜在调节剂。然而，到目前为止，仅描述了少数三聚体化合物，并且需要扩大此类类似物的数量来扩展结构-活性关系研究。因此，报道了六种新的三聚喹啉衍生物的合成。此外，进行分子建模实验以研究化合物36在Bcl-x L的Bak结合位点的构象排列，表明这些化合物可能是Bcl-x L的潜在配体。

  DOI：

  10.1016/j.bioorg.2011.07.001

文献信息

• A Direct C2-Selective Phenoxylation and Alkoxylation of Quinoline <i>N</i> -Oxides with Various Phenols and Alcohols in the Presence of <i>H</i> -Phosphonate
  作者：Wen-Zhu Bi、Chen Qu、Xiao-Lan Chen、Ling-Bo Qu、Zhi-Dong Liu、Kai Sun、Xu Li、Yu-Fen Zhao

  DOI：10.1002/ejoc.201701080

  日期：2017.9.15

  A practical and efficient method for the synthesis of 2-aroxy(alkoxy)quinolines has been developed, via direct cross-dehydrogenative coupling reaction between quinoline N-oxides and readily available phenols and alcohols in the presence of H-phosphonate and CCl4 under mild conditions.

  通过在温和的条件下在H-膦酸酯和CCl4存在下，通过喹啉N-氧化物与易得的酚和醇之间的直接交叉脱氢偶联反应，已经开发出一种实用且有效的合成2-芳氧基（烷氧基）喹啉的方法。 。
• [EN] PHARMACEUTICAL COMPOSITION, CRYSTAL FORM OF PROTHIOCONAZOLE, PREPARATION METHOD AND APPLICATION THEREOF<br/>[FR] COMPOSITION PHARMACEUTIQUE, FORME CRISTALLINE DE PROTHIOCONAZOLE, PROCÉDÉ DE PRÉPARATION ET APPLICATION ASSOCIÉE<br/>[ZH] 一种药用组合物、丙硫菌唑的晶型及其制备方法、应用
  申请人：NUTRICHEM COMPANY LTD

  公开号：WO2021022604A1

  公开（公告）日：2021-02-11

  一种药用组合物、丙硫菌唑的晶型及其制备方法、应用，属于杀菌剂领域。丙硫菌唑的晶型在室温条件下通过Cu-Kα辐射测量的X射线粉末衍射图谱中包括2θ值为6.1±0.2、8.7±0.2、10.1±0.2、11.4±0.2、12.1±0.2、12.6±0.2、14.5±0.2、17.6±0.2、18.2±0.2、20.4±0.2、22.9±0.2、24.4±0.2、25.7±0.2、28.9±0.2以及32.1±0.2的衍射峰中的至少6个。以上丙硫菌唑的晶型具有稳定性好、制作简单，且生物活性好的优点。
• [EN] QUINOLYL PHOSPHINE OXIDE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF<br/>[FR] COMPOSÉ D'OXYDE DE QUINOLYLE PHOSPHINE, ET COMPOSITION ET APPLICATION DE CELUI-CI<br/>[ZH] 喹啉基膦氧化合物及其组合物和用途
  申请人：BETTA PHARMACEUTICALS CO LTD

  公开号：WO2021160087A1

  公开（公告）日：2021-08-19

  本发明涉及式I化合物，使用这些化合物作为EGFR抑制剂的方法，以及包含这些化合物的药物组合物。该化合物可用于治疗、预防或改善诸如癌症或感染的疾病或病症。
• [EN] COMPOSITION COMPRISING BENZYLAMINE ACARICIDE AND USE THEREOF<br/>[FR] COMPOSITION COMPRENANT UN ACARICIDE BENZYLAMINE ET SON UTILISATION<br/>[ZH] 含有苄胺类杀螨剂的组合物及其应用
  申请人：[en]SHANDONG KANGQIAO BIO-TECHNOLOGY CO., LTD;[zh]山东康乔生物科技有限公司

  公开号：WO2022166842A1

  公开（公告）日：2022-08-11

  一种组合物及其应用，该组合物包括活性组分a和活性组分b，其中，活性组分a为通式A所示的化合物，活性组分b为不同于通式A所示的化合物的具有杀虫、杀螨或杀菌活性的化合物中的至少一种。该组合物具有增效、扩大防治谱等优点，可用于防治多种害虫(特别是螨害)及由多种真菌、细菌、线虫、病毒引起的植物病害。
• Hayashida, Mitsuo; Honda, Haruyoshi; Hamana, Masatomo, Heterocycles, 1990, vol. 31, # 7, p. 1325 - 1331
  作者：Hayashida, Mitsuo、Honda, Haruyoshi、Hamana, Masatomo

  DOI：——

  日期：——