8-溴-6-氯喹啉 | 16567-11-6

• 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-6-氯喹啉
• 英文名称: 8-Bromo-6-chloroquinoline
• 英文别名: 8-Brom-6-chlorchinolin
• CAS: 16567-11-6
• 化学式: C₉H₅BrClN
• 分子量: 242.502
• InChiKey: NYZQVTHNVNLOQQ-UHFFFAOYSA-N

物化性质

• 熔点：
  93.5-94.0 °C
• 沸点：
  327.8±22.0 °C(Predicted)
• 密度：
  1.673

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

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-6-chloroquinoline
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-6-chloroquinoline
CAS number: 16567-11-6

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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: C9H5BrClN
Molecular weight: 242.5

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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 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-6-氯喹啉 在 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 1,4-二氧六环 、 水 、 正丁醇 为溶剂， 反应 16.5h， 生成 acetic acid 2-(6-tert-butyl-8-fluoro-1-oxo-1H-phthalazin-2-yl)-6-{8-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-quinolin-6-yl}-benzyl ester
  参考文献：
  名称：

  INHIBITORS OF BRUTON'S TYROSINE KINASE

  摘要：

  本申请披露了根据通用式I定义的化合物：其中变量如本文所述，并且抑制Btk。本文披露的化合物对调节Btk的活性并治疗与Btk活性过高相关的疾病有用。这些化合物还有助于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还披露了含有通用式I化合物和至少一种载体、稀释剂或赋形剂的组合物。

  公开号：

  US20130150360A1
• 作为产物：
  描述：

  8-溴-6-甲氧基喹啉 以77%的产率得到8-溴-6-氯喹啉
  参考文献：
  名称：

  Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression

  摘要：

  本发明包括式I1的化合物，其中A、X、n、Ar1和Ar2如本文所述。这些化合物可用于治疗抑郁症。本发明还包括含有这些化合物的配方，以及制备和使用本发明化合物的方法。

  公开号：

  US20030032645A1

文献信息

• Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor
  申请人：Asselin Magda

  公开号：US20070027160A1

  公开（公告）日：2007-02-01

  The present invention relates to novel piperazine-piperidine compounds. The compounds are useful as 5-HT 1A binding agents, particularly as 5-HT 1A receptor antagonists and agonists. These compounds are useful in treating central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction.

  本发明涉及新型哌嗪-哌啶化合物。这些化合物可用作5-HT1A结合剂，特别是作为5-HT1A受体拮抗剂和激动剂。这些化合物在治疗中枢神经系统疾病方面很有用，如认知障碍、焦虑症、抑郁症和性功能障碍。
• Hypoglycemic 5-substituted oxazolidine 2,4-diones
  申请人：Pfizer Inc.

  公开号：US04689336A1

  公开（公告）日：1987-08-25

  Hypoglycemic 5-chromanyl, 2,3-dihydro-5-benzo[b]-furanyl, 5-pyridyl, 5-quinolyl, 5-pyrrolyl, 5-indolyl, 5-thiazolyl, 5-oxazolyl, 5-isothiazolyl and 5-isoxazolyl oxazolidine-2,4-diones and the pharmaceutically-acceptable salts thereof; certain 3-acylated derivatives thereof; a method of treating hyperglycemic animals therewith; and intermediates useful in the preparation of said compounds.

  降血糖的5-色基-2,3-二氢-5-苯并[b]-呋喃基，5-吡啶基，5-喹啉基，5-吡咯基，5-吲哚基，5-噻唑基，5-噁唑基，5-异硫氰基和5-异恶唑基噁唑烷-2,4-二酮及其药学上可接受的盐；其中某些3-酰化衍生物；一种用于治疗高血糖动物的方法；以及制备上述化合物有用的中间体。
• Intermediates for the preparation of 5-substituted oxazolidine-2,4-diones
  申请人：Pfizer Inc.

  公开号：US04431810A1

  公开（公告）日：1984-02-14

  Hypoglycemic 5-chromanyl, 2,3-dihydro-5-benzo[b]furanyl, 5-pyridyl, 5-quinolyl, 5-pyrrolyl, 5-indolyl, 5-thiazolyl, 5-oxazolyl, 5-isothiazolyl and 5-isoxazolyl oxazolidine-2,4-diones and the pharmaceutically-acceptable salts thereof; certain 3-acylated derivatives thereof; a method of treating hyperglycemic animals therewith; and intermediates useful in the preparation of said compounds.

  低血糖作用的5-色基-2,3-二氢-5-苯并[b]呋喃基，5-吡啶基，5-喹啉基，5-咔唑基，5-吲哚基，5-噻唑基，5-噁唑基，5-异噻唑基和5-异噁唑基噁唑烷-2,4-二酮及其药学上可接受的盐；其某些3-酰化衍生物；一种用于治疗高血糖动物的方法；以及制备该化合物的有用中间体。
• Hypoglycemic 5-substituted oxazolidine-2,4-diones
  申请人：Pfizer Inc.

  公开号：US04753956A1

  公开（公告）日：1988-06-28

  Hypoglycemic 5-chromanyl, 2,3-dihydro-5-benzo[b]-furanyl, 5-pyridyl, 5-quinolyl, 5-pyrrolyl, 5-indolyl, 5-thiazolyl, 5-oxazolyl, 5-isothiazolyl and 5-isoxazolyl oxazolidine-2,4-diones and the pharmaceutically-acceptable salts thereof; certain 3-acylated derivatives thereof; a method of treating hyperglycemic animals therewith; and intermediates useful in the preparation of said compounds.

  低血糖作用的5-色基，2,3-二氢-5-苯并[b]-呋喃基，5-吡啶基，5-喹啉基，5-吡咯基，5-吲哚基，5-噻唑基，5-噁唑基，5-异噻唑基和5-异恶唑基噁唑烷-2,4-二酮及其药学上可接受的盐；某些3-酰化衍生物；用于治疗高血糖动物的方法；以及用于制备该化合物的中间体。
• Hypoglycemic 5-(isoxazolyl or isothiazolyl)-oxazolidine-2,4-diones
  申请人：Pfizer Inc.

  公开号：US04812471A1

  公开（公告）日：1989-03-14

  Hypoglycemic 5-chromanyl, 2,3-dihydro-5-benzo[b]-furanyl, 5-pyridyl, 5-quinolyl, 5-pyrrolyl, 5-indolyl, 5-thiazolyl, 5-oxazolyl, 5-isothiazolyl and 5-isoxazolyl oxazolidine-2.4-diones and the pharmacetically-acceptable salts thereof; certain 3-acylated derivatives thereof; a method of treating hyperglycemic animals therewith; and intermediates useful in the preparation of said compounds.

  降血糖的5-色基-2,3-二氢-5-苯并[b]-呋喃基，5-吡啶基，5-喹啉基，5-吡咯基，5-吲哚基，5-噻唑基，5-噁唑基，5-异硫氰基和5-异恶唑基噁唑烷-2，4-二酮及其药用盐；其某些3-酰化衍生物；用于治疗高血糖动物的方法；以及制备上述化合物的有用中间体。