7-溴-1,2,3,4-四氢喹啉 | 114744-51-3

• 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: 7-溴-1,2,3,4-四氢喹啉
• 中文别名: 7-氯-1,2,3,4-四氢喹啉盐酸
• 英文名称: 7-bromo-1,2,3,4-tetrahydroquinoline
• CAS: 114744-51-3
• 化学式: C₉H₁₀BrN
• 分子量: 212.089
• InChiKey: DRVWZEWZXCZNAR-UHFFFAOYSA-N

物化性质

• 熔点：
  68-69 °C
• 沸点：
  288.1±29.0 °C(Predicted)
• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 7-Bromo-1,2,3,4-tetrahydroquinoline
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: 7-Bromo-1,2,3,4-tetrahydroquinoline
CAS number: 114744-51-3

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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: C9H10BrN
Molecular weight: 212.1

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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：

  7-溴-1,2,3,4-四氢喹啉 在 正丁基锂 、 三氟甲磺酸 、 三氟化硼乙醚 、 potassium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 正己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 13.25h， 生成 1-benzyl-7-(5-bromo-2-isopropyl-benzyl)-1,2,3,4-tetrahydro-quinoline
  参考文献：
  名称：

  [EN] GLYCOSIDE DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS DE GLYCOSIDE ET UTILISATIONS DE CEUX-CI

  摘要：

  这项发明涉及由式(I)表示的化合物，其中变量如上所定义，这些化合物对治疗由钠D-葡萄糖共转运蛋白（SGLT）介导的疾病和症状，例如糖尿病，具有益处。该发明还提供了治疗这些疾病和症状的方法，以及用于治疗的组合物等。

  公开号：

  WO2011048112A1
• 作为产物：
  描述：

  6-溴茚酮 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 甲基磺酰氯 、 三乙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 5.5h， 生成 7-溴-1,2,3,4-四氢喹啉
  参考文献：
  名称：

  Structure-Guided Rescaffolding of Selective Antagonists of BCL-X_L

  摘要：

  Because of the promise of BCL-2 antagonists in combating chronic lymphocytic leukemia (CLL) and non-Hodgkin's lymphoma (NHL), interest in additional selective antagonists of antiapoptotic proteins has grown. Beginning with a series of selective, potent BCL-X-L antagonists containing an undesirable hydrazone functionality, in silico design and X-ray crystallography were utilized to develop alternative scaffolds that retained the selectivity and potency of the starting compounds.

  DOI：

  10.1021/ml500030p
• 作为试剂：
  描述：

  trifluoroborane diethyl ether 、 (Z)-6-bromo-N-tri(propan-2-yl)silyloxy-2,3-dihydroinden-1-imine 、 二甲基硫 、 、 水 在 乙醚 、 Brine 、 potassium carbonate 、 crude material 、 silica gel 、 乙酸乙酯 、 7-溴-1,2,3,4-四氢喹啉 作用下， 以 乙醚 、 petroleum ether 为溶剂， 反应 52.83h， 以EtOAc (100:1) to provide 11.2 g (31%) of the desired product 7-bromo-1,2,3,4-tetrahydroquinoline (1E)的产率得到7-溴-1,2,3,4-四氢喹啉
  参考文献：
  名称：

  Compounds and methods of use

  摘要：

  在某个方面，本发明提供了一个I式化合物，其中在I式中，变量X1，X2a，X2b，X2c，R1，B，L，E，A和下标n的定义如本文所述。在另一个方面，本发明提供了包含I式化合物的药物组合物，以及使用I式化合物治疗表达或过度表达Bcl-2抗凋亡蛋白（例如抗凋亡Bcl-xL蛋白）所致的疾病和状况（例如癌症，血小板增多症等）的方法。

  公开号：

  US09067928B2

文献信息

• [EN] GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE GLYCOLATE OXYDASE POUR LE TRAITEMENT D'UNE MALADIE
  申请人：BIOMARIN PHARM INC

  公开号：WO2020257487A1

  公开（公告）日：2020-12-24

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with a defect in glyoxylate metabolism, for example a disease or disorder associated with the enzyme glycolate oxidase (GO) or alterations in oxalate metabolism. Such diseases or disorders include, for example, disorders of glyoxylate metabolism, including primary hyperoxaluria, that are associated with production of excessive amounts of oxalate.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与甘氧酸代谢缺陷相关的疾病或紊乱的方法，例如与甘氧酸氧化酶（GO）或草酸代谢变化相关的疾病或紊乱。这些疾病或紊乱包括与产生过多草酸相关的甘氧酸代谢紊乱，例如原发性高草酸尿症。
• 4-heterocyclyl-substituted quinazoline derivatives, processes for their
  申请人：Pfizer Inc.

  公开号：US05736534A1

  公开（公告）日：1998-04-07

  This invention relates to certain 4-aminoquinazolines and the pharmaceutically acceptable salts and stereoisomers thereof, the formula whereof are described herein. The compounds are useful for the treatment of hyperproliferative diseases, particularly as anti-cancer agents.

  这项发明涉及某些4-氨基喹唑啉及其药用可接受的盐和立体异构体，其公式在本文件中有所描述。这些化合物用于治疗过度增殖性疾病，特别是作为抗癌剂。
• Photoactivatable Fluorophore for Stimulated Emission Depletion (STED) Microscopy and Bioconjugation Technique for Hydrophobic Labels
  作者：Michael Weber、Taukeer A. Khan、Lukas J. Patalag、Mariano Bossi、Marcel Leutenegger、Vladimir N. Belov、Stefan W. Hell

  DOI：10.1002/chem.202004645

  日期：2021.1.4

  The use of photoactivatable dyes in STED microscopy has so far been limited by two‐photon activation through the STED beam and by the fact that photoactivatable dyes are poorly solvable in water. Herein, we report ONB‐2SiR, a fluorophore that can be both photoactivated in the UV and specifically de‐excited by STED at 775 nm. Likewise, we introduce a conjugation and purification protocol to effectively

  迄今为止，光活化染料在 STED 显微镜中的使用受到通过 STED 光束的双光子激活以及光活化染料在水中溶解性较差这一事实的限制。在此，我们报道了 ONB-2SiR，一种荧光团，既可以在 UV 中光激活，又可以在 775 nm 处通过 STED 特异性去激发。同样，我们引入了缀合和纯化方案，以使用中等水溶性染料有效地标记一抗和二抗。我们的技术大大减少了染料聚集，提供了明确且可调的标记程度，并总体上提高了染料缀合物的成像性能。
• 5-FLUORO-C-(ARYL OR HETEROCYCLYL)-GLYCOSIDE DERIVATIVES USEFUL AS DUAL SGLT1 / SGLT2 MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20190055226A1

  公开（公告）日：2019-02-21

  The present invention is directed to 5-fluoro-C-(aryl or hetercyclyl)-glycoside derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by SGLT activity, more particularly dual SGLT1/2 activity.

  本发明涉及5-氟-C-(芳基或杂环基)-糖苷衍生物，含有它们的药物组合物以及它们在治疗由SGLT活性调节的疾病和症状中的应用，更具体地说是双重SGLT1/2活性。
• [EN] SUBSTITUTED QUINOXALINE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINOXALINE SUBSTITUÉS
  申请人：SELVITA S A

  公开号：WO2016180536A1

  公开（公告）日：2016-11-17

  The present invention relates to substituted quinoxaline derivatives. These compounds are useful for the prevention and/or treatment of several medical conditions including hyperproliferative disorders and diseases.

  本发明涉及取代喹喔啉衍生物。这些化合物对预防和/或治疗包括过度增殖性疾病在内的多种医疗状况具有用处。