8-溴-7-甲氧基喹啉 | 36023-06-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 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: 8-溴-7-甲氧基喹啉
• 中文别名: 7-甲氧基-8-溴喹啉
• 英文名称: 8-bromo-7-methoxyquinoline
• CAS: 36023-06-0
• 化学式: C₁₀H₈BrNO
• 分子量: 238.084
• InChiKey: PYLZPPOBCRUWJX-UHFFFAOYSA-N

物化性质

• 密度：
  1.516

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 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
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 8-Bromo-7-methoxyquinoline
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: 8-Bromo-7-methoxyquinoline
CAS number: 36023-06-0

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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: C10H8BrNO
Molecular weight: 238.1

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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 bromide.

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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：

  8-溴-7-甲氧基喹啉 在 4-hydroxy-2,6-diphenyl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide 、 二氢吡啶 、 5%-palladium/activated carbon 、 氢气 、 palladium diacetate 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 30.0~45.0 ℃ 、4.14 MPa 条件下， 反应 56.0h， 生成 8-(biphenyl-2-yl)-7-methoxy-1,2,3,4-tetrahydroquinoline
  参考文献：
  名称：

  通过不对称转移氢化对轴向手性 5-或 8-取代喹啉进行动力学拆分

  摘要：

  通过杂芳族部分的不对称转移氢化，开发了轴向手性5-或8-取代喹啉衍生物的有效动力学拆分，同时获得了两种具有高达209选择性因子的轴向手性骨架。这代表了杂芳烃的不对称转移氢化在轴向手性联芳烃的动力学拆分中的首次成功应用。

  DOI：

  10.1021/jacs.6b06009
• 作为产物：
  描述：

  7-甲氧基喹啉 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 为溶剂， 以93.1%的产率得到8-溴-7-甲氧基喹啉
  参考文献：
  名称：

  一种基于光致变色三亚芳基的自成体系的超强酸光产酸剂

  摘要：

  在光诱导的6π-电环化反应中，过酸从基于三角亚芳基骨架的自包含的光酸产生剂中有效释放。

  DOI：

  10.1039/c7cc01635b

文献信息

• 新規化合物、該化合物を含有する光酸発生剤、及び該光酸発生剤を含有する感光性樹脂組成物
  申请人：国立大学法人 奈良先端科学技術大学院大学

  公开号：JP2018118935A

  公开（公告）日：2018-08-02

  【課題】酸発生量子収率の高い非イオン系光酸発生剤の提供。【解決手段】式（２）で表される化合物。（環Ａｒはベンゼン環、ナフタレン環、チオフェン環等；Ｒ１は脂肪族炭化水素等。Ｒ２及びＲ３夫々独立にＨ、芳香族残基等；Ｒ４はＨ又は脂肪族炭化水素；Ｘ１はＣＲ５、Ｎ、Ｏ、Ｓ、Ｆ又はＰ；Ｒ５はＨ、芳香族残基等；Ｘ２はＣＲ６、Ｎ、Ｏ、Ｓ、Ｆ又はＰ；Ｒ６はＨ、芳香族残基等；Ｙ１はＳ，Ｏ、Ｓｅ又はＣＲ７Ｒ８；Ｒ７及びＲ８はＨ又は脂肪族炭化水素）【選択図】なし

  提供高产量非离子型光酸发生剂的解决方案是由式（2）表示的化合物。（环Ar代表苯环、萘环、噻吩环等；R1代表脂族烃等。R2和R3各自独立地代表H、芳香族残基等；R4代表H或脂族烃；X1代表CR5、N、O、S、F或P；R5代表H、芳香族残基等；X2代表CR6、N、O、S、F或P；R6代表H、芳香族残基等；Y1代表S、O、Se或CR7R8；R7和R8代表H或脂族烃）【选择图】无
• [EN] MODULATORS OF CXCR7<br/>[FR] MODULATEURS DU CXCR7
  申请人：CHEMOCENTRYX INC

  公开号：WO2010054006A1

  公开（公告）日：2010-05-14

  Compounds having formula (I) or pharmaceutically acceptable salts, hydrates or N-oxides thereof are provided and are useful for binding to CXCR7, and treating diseases that are dependent, at least in part, on CXCR7 activity. Accordingly, the present invention provides in further aspects, compositions containing one or more of the above-noted compounds in admixture with a pharmaceutically acceptable excipient.

  提供具有化学式（I）或其药用可接受盐、水合物或N-氧化物的化合物，并且这些化合物对结合CXCR7，并治疗至少部分依赖于CXCR7活性的疾病是有用的。因此，本发明在进一步方面提供了含有上述化合物之一或多个的组合物，与药用可接受的赋形剂混合。
• Modulators of CXCR7
  申请人：Chemocentryx, Inc.

  公开号：US08288373B2

  公开（公告）日：2012-10-16

  Compounds having formula I, or pharmaceutically acceptable salts, hydrates or N-oxides thereof are provided and are useful for binding to CXCR7, and treating diseases that are dependent, at least in part, on CXCR7 activity. Accordingly, the present invention provides in further aspects, compositions containing one or more of the above-noted compounds in admixture with a pharmaceutically acceptable excipient.

  提供具有I式的化合物，或其药学上可接受的盐、水合物或N-氧化物，用于结合CXCR7，并治疗至少部分依赖于CXCR7活性的疾病。因此，本发明在进一步方面提供了含有上述化合物之一或多个与药学上可接受的载体混合的组合物。
• MODULATORS OF CXCR7
  申请人：Chen Xi

  公开号：US20100150831A1

  公开（公告）日：2010-06-17

  Compounds having formula I, or pharmaceutically acceptable salts, hydrates or N-oxides thereof are provided and are useful for binding to CXCR7, and treating diseases that are dependent, at least in part, on CXCR7 activity. Accordingly, the present invention provides in further aspects, compositions containing one or more of the above-noted compounds in admixture with a pharmaceutically acceptable excipient.

  本发明提供公式I的化合物，或其药学上可接受的盐、水合物或N-氧化物，用于结合CXCR7并治疗至少在一定程度上依赖于CXCR7活性的疾病。因此，本发明在进一步方面提供含有上述化合物之一或多个的组合物，与药学上可接受的载体混合使用。
• <i>ortho</i>-Selective Dearomative [2π + 2σ] Photocycloadditions of Bicyclic Aza-Arenes
  作者：Roman Kleinmans、Subhabrata Dutta、Kristers Ozols、Huiling Shao、Felix Schäfer、Rebecca E. Thielemann、Hok Tsun Chan、Constantin G. Daniliuc、Kendall N. Houk、Frank Glorius

  DOI：10.1021/jacs.3c02961

  日期：2023.6.7

  Dearomative photocycloadditions are valuable chemical transformations, serving as an efficient platform to create three-dimensional molecular complexity. However, the photolability of the original addition product especially within the context of ortho cycloadditions often causes undesired consecutive rearrangements, rendering these ortho cycloadducts elusive. Herein, we report an ortho-selective intermolecular

  脱芳烃光环加成是有价值的化学转化，可作为创建三维分子复杂性的有效平台。然而，原始加成产物的光不稳定性，尤其是在邻位环加成的情况下，通常会导致不需要的连续重排，从而使这些邻位环加合物难以捉摸。在此，我们通过利用应变释放方法报告了双环氮杂芳烃（包括（异）喹啉、喹唑啉和喹喔啉）的邻位选择性分子间光环加成。以双环 [1.1.0] 丁烷作为偶联伙伴，这种去芳香化 [2π + 2σ] 环加成可以直接构建 C(sp 3)-富含二环[2.1.1]己烷直接连接到N-杂芳烃。光物理实验和 DFT 计算揭示了 [2π + 2σ] 选择性的起源，并表明，除了最初提出的能量转移或直接激发途径外，链式反应机制根据反应条件起作用。