2-溴-8-氯喹啉 | 891842-52-7

• 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-溴-8-氯喹啉
• 英文名称: 2-bromo-8-chloroquinoline
• CAS: 891842-52-7
• 化学式: C₉H₅BrClN
• 分子量: 242.502
• InChiKey: QSVCZJXVMARGOP-UHFFFAOYSA-N

物化性质

• 沸点：
  328.1±22.0 °C(Predicted)
• 密度：
  1.673±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-8-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: 2-Bromo-8-chloroquinoline
CAS number: 891842-52-7

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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：

  2-溴-8-氯喹啉 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 sodium carbonate 作用下， 以 水 、 甲苯 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  一种芳香胺衍生物及其有机电致发光器件

  摘要：

  本发明提供一种芳香胺衍生物及其有机电致发光器件，涉及有机光电材料技术领域。该类化合物制备方法简单、原料易得，具有高的空穴迁移率和Tg，稳定性和成膜性好，还具有适当的最高占据分子轨道能级，既可作为第一空穴传输层，又可作为第二空穴传输层。当作为第一空穴传输层时，可以降低发光层和阳极界面之间的能级差；作为第二空穴传输层时，则可以降低发光层和第一空穴传输层之间的能级差，同时还能实现发光层内的点和均衡。应用于OLED器件中，可以显著提高器件的发光效率、色纯度和使用寿命，还能降低器件的驱动电压，是一类性能优良的OLED材料。

  公开号：

  CN108558873A
• 作为产物：
  描述：

  8-氯-2-羟基喹啉 在 四丁基溴化铵 、 phosphorus pentoxide 作用下， 以 xylene 为溶剂， 反应 0.28h， 以85%的产率得到2-溴-8-氯喹啉
  参考文献：
  名称：

  Heterocyclic compounds as inhibitors of factor VIIa

  摘要：

  本发明一般涉及抑制丝氨酸蛋白酶的化合物。具体而言，它涉及新颖的杂环化合物，或其立体异构体或药用可接受的盐、溶剂合物或前药形式，这些化合物可用作凝血级联中丝氨酸蛋白酶的选择性抑制剂；例如凝血酶、第VIIa因子、第Xa因子、第XIa因子、第IXa因子和/或血浆激肽。具体而言，它涉及第VIIa因子抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用它们的方法。

  公开号：

  US20060211720A1

文献信息

• Catalytic Enantioselective Synthesis of Heterocyclic Vicinal Fluoroamines by Using Asymmetric Protonation: Method Development and Mechanistic Study
  作者：Matthew W. Ashford、Chao Xu、John J. Molloy、Cameron Carpenter‐Warren、Alexandra M. Z. Slawin、Andrew G. Leach、Allan J. B. Watson

  DOI：10.1002/chem.202002543

  日期：2020.9.21

  A catalytic enantioselective synthesis of heterocyclic vicinal fluoroamines is reported. A chiral Brønsted acid promotes aza‐Michael addition to fluoroalkenyl heterocycles to give a prochiral enamine intermediate that undergoes asymmetric protonation upon rearomatization. The reaction accommodates a range of azaheterocycles and nucleophiles, generating the C−F stereocentre in high enantioselectivity

  报道了杂环邻位氟胺的催化对映选择性合成。手性布朗斯台德酸促进氮杂-迈克尔加成到氟链烯基杂环上，从而得到手性烯胺中间体，该中间体在重新芳构化后经历不对称的质子化。该反应可容纳一定范围的氮杂杂环和亲核试剂，以高对映选择性生成C-F立体中心，并且还适合立体C-CF 3债券。大量的DFT计算为速率控制步骤中质子从催化剂到底物的立体控制转移提供了证据，并表明了催化剂烷基的空间相互作用在增强高对映选择性中的重要性。晶体结构数据显示了核心结构构象中非共价相互作用的优势，从而能够调节构象态势。Ramachandran类型的构象异构体分布分析和Protein Data Bank挖掘表明，这种方法的苄基氟化有可能提高几种市售药物的效力。
• NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：Geneste Hervé

  公开号：US20130005705A1

  公开（公告）日：2013-01-03

  The present invention relates to novel carboxamide compounds, pharmaceutical compositions containing them, and their use in therapy. The compounds possess valuable therapeutic properties and are particularly suitable for treating or controlling medical disorders selected from neurological disorders and psychiatric disorders, for ameliorating the symptoms associated with such disorders and for reducing the risk of such disorders.

  本发明涉及新型的氨基甲酸酰胺化合物、含有它们的药物组合物及其在治疗中的应用。这些化合物具有宝贵的治疗特性，特别适用于治疗或控制神经疾病和精神疾病，用于改善与这些疾病相关的症状，并用于降低这些疾病的风险。
• Ligandless Copper-Catalyzed Coupling of Heteroaryl Bromides with Gaseous Ammonia
  作者：Serena Fantasia、Johannes Windisch、Michelangelo Scalone

  DOI：10.1002/adsc.201201010

  日期：2013.3.11

  A range of different N‐ and S‐containing heterocyclic bromides can be efficiently coupled with gaseous ammonia in the presence of copper(II) acetylacetonate [Cu(acac)2] as catalyst and in the absence of additional ligands. Unstable aminothiophenes and aminobenzothiophenes can be further reacted in situ to afford functionalized derivatives.

  在乙酰丙酮铜（II）[Cu（acac）2 ]存在下，在没有其他配体的情况下，可以将多种不同的含N和S的杂环溴化物与气态氨有效结合。不稳定的氨基噻吩和氨基苯并噻吩可以进一步原位反应以提供官能化的衍生物。
• Poly(alpha-olefin)s and Methods Thereof
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US20200190236A1

  公开（公告）日：2020-06-18

  The present disclosure relates to poly(alpha-olefin)s and methods for making poly(alpha-olefin)s. A poly(alpha-olefin) may include about 95 wt % or greater C 10 -C 18 alpha-olefin content and have a weight average molecular weight of from about 1,000,000 g/mol to about 10,000,000 g/mol. A method for forming a poly(alpha-olefin) may include introducing one or more C 10 -C 18 alpha-olefins to a catalyst system comprising a catalyst compound and an activator. The method may include obtaining poly(alpha-olefin)s comprising about 95 wt % or greater C 10 -C 18 alpha-olefin content and having a weight average molecular weight of from about 1,000,000 g/mol to about 10,000,000 g/mol.

  本公开涉及聚α-烯烃及其制备方法。聚α-烯烃可以包括大约95重量％或更多的C10-C18α-烯烃含量，并具有从大约1,000,000克/摩尔到约10,000,000克/摩尔的重均分子量。形成聚α-烯烃的方法可以包括将一个或多个C10-C18α-烯烃引入催化剂体系，该体系包括催化剂化合物和活化剂。该方法可以获得聚α-烯烃，其含有大约95重量％或更多的C10-C18α-烯烃，并具有从大约1,000,000克/摩尔到约10,000,000克/摩尔的重均分子量。
• Poly(alpha-olefin)s and methods thereof
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US11198745B2

  公开（公告）日：2021-12-14

  The present disclosure relates to poly(alpha-olefin)s and methods for making poly(alpha-olefin)s. A poly(alpha-olefin) may include about 95 wt % or greater C10-C18 alpha-olefin content and have a weight average molecular weight of from about 1,000,000 g/mol to about 10,000,000 g/mol. A method for forming a poly(alpha-olefin) may include introducing one or more C10-C18 alpha-olefins to a catalyst system comprising a catalyst compound and an activator. The method may include obtaining poly(alpha-olefin)s comprising about 95 wt % or greater C10-C18 alpha-olefin content and having a weight average molecular weight of from about 1,000,000 g/mol to about 10,000,000 g/mol.

  本公开涉及聚（α-烯烃）和制造聚（α-烯烃）的方法。聚（α-烯烃）可包括约 95 重量％或更高含量的 C10-C18 α-烯烃，其重量平均分子量为约 1,000,000 g/mol 至约 10,000,000 g/mol。形成聚（α-烯烃）的方法可包括将一种或多种 C10-C18 α-烯烃引入由催化剂化合物和活化剂组成的催化剂体系。该方法可包括获得包含约 95 wt % 或更高 C10-C18 α-烯烃含量且具有约 1,000,000 g/mol 至约 10,000,000 g/mol 重量平均分子量的聚（α-烯烃）。