5,7-二氯喹啉 | 4964-77-6

• 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: 5,7-二氯喹啉
• 英文名称: 5,7-Dichloroquinoline
• 英文别名: 5,7-Dichlor-chinolin
• CAS: 4964-77-6
• 化学式: C₉H₅Cl₂N
• mdl: MFCD11504933
• 分子量: 198.051
• InChiKey: SOYGNPWMLQHOGD-UHFFFAOYSA-N

物化性质

• 熔点：
  116-117 °C
• 沸点：
  308.3±22.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 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: 5,7-Dichloroquinoline
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: 5,7-Dichloroquinoline
CAS number: 4964-77-6

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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: C9H5Cl2N
Molecular weight: 198.0

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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.

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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：

  5,7-二氯喹啉 在 硫酸 、 硝酸 作用下， 反应 2.5h， 以70%的产率得到5,7-dichloro-8-nitro-quinoline
  参考文献：
  名称：

  通过钯催化的未活化γC（sp3）分子内胺化反应，使用易于除去的辅助基团合成吡咯烷酮吗？H债券

  摘要：

  容易上手，容易下手：发现可促进仲酰胺的钯催化的γC（sp 3）H和C（sp 2）H键的钯催化胺化反应，包括5-甲氧基-8-氨基喹啉，可将其除去在温和条件下（请参阅方案； CAN =硝酸硝酸铈）。结合使用β- CH甲基化或γ- CH芳基化步骤，可以使γ-C（sp 3）H胺化反应从易得的前体中获得复杂的吡咯烷酮。

  DOI：

  10.1002/anie.201305615
• 作为产物：
  描述：

  5,7-二溴喹啉-8-胺 生成 5,7-二氯喹啉
  参考文献：
  名称：

  The Reaction of 8-Nitroquinoline with Thiophenol—Thiophenoxide Ion. An Example of Anionic Substitution¹

  摘要：

  DOI：

  10.1021/ja01132a001

文献信息

• [EN] DISUBSTITUTED ALKYNE DERIVATIVES<br/>[FR] DÉRIVÉS D'ALCYNE DISUBSTITUÉS
  申请人：MERCK PATENT GMBH

  公开号：WO2020127960A1

  公开（公告）日：2020-06-25

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

  本发明涉及二取代炔衍生物。这些化合物对预防和/或治疗多种医学状况包括高增殖性疾病和疾病具有用处。
• [EN] COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES<br/>[FR] PRODUIT DE COMBINAISON POUR LE TRAITEMENT DE MALADIES CANCÉREUSES
  申请人：MERCK PATENT GMBH

  公开号：WO2021249969A1

  公开（公告）日：2021-12-16

  The present invention relates to a product for combination therapies useful for the treatment of cancer diseases. In particular, the invention relates to the combination of an anti-PD-Ll antibody and an MCT4 inhibitor of Formula (I). The therapeutic combination may be utilized for the use in treating a subject having a cancer disease that tests positive for PD-L1 and/or MCT4 expression.

  本发明涉及一种用于治疗癌症疾病的联合疗法产品。具体而言，该发明涉及一种抗PD-L1抗体和一种Formula(I)的MCT4抑制剂的组合。该治疗组合可用于治疗对PD-L1和/或MCT4表达呈阳性的癌症患者。
• [EN] ANTAGONISTS OF PROSTAGLANDIN EP3 RECEPTOR<br/>[FR] ANTAGONISTES DE RÉCEPTEUR EP3 DE PROSTAGLANDINE
  申请人：PFIZER

  公开号：WO2016103097A1

  公开（公告）日：2016-06-30

  Provided herein are antagonists la or lb of prostaglandin EP3 receptor, processes to make said antagonists, and methods comprising administering said antagonists to a mammal in need thereof. (Formula I)

  本文提供了前列腺素EP3受体的拮抗剂la或lb，制备该拮抗剂的方法，以及包括向需要的哺乳动物施用该拮抗剂的方法。 (公式I)
• QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20150148344A1

  公开（公告）日：2015-05-28

  This application relates to chemical compounds which may act as inhibitors of, or which may otherwise modulate the activity of, a bromodomain-containing protein, including bromodomain-containing protein 4 (BRD4), and to compositions and formulations containing such compounds, and methods of using and making such compounds. Compounds include compounds of Formula I wherein R 1 , R 2 , R 3 , R 4 , R 7 , W, X, and Z are as described herein.

  本申请涉及可能作为溴结构域含蛋白质的抑制剂或以其他方式调节其活性的化合物，包括溴结构域含蛋白质4（BRD4），以及含有这些化合物的组合物和配方，以及使用和制备这些化合物的方法。化合物包括式I的化合物，其中R1、R2、R3、R4、R7、W、X和Z如本文所述。
• [EN] QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLÉINE COMME INHIBITEURS DE BROMODOMAINE
  申请人：GILEAD SCIENCES INC

  公开号：WO2015080707A1

  公开（公告）日：2015-06-04

  This application relates to chemical compounds which may act as inhibitors of, or which may otherwise modulate the activity of a bromodomain-containing protein, including bromodomain-containing protein 4 (BRD4), and to compositions and formulations containing such compounds, and methods of using and making such compounds. Compounds include compounds of Formula I, wherein R, R2, R3, R4, R7, W, X are as described herein and Z is selected from the group consisting of unsubstituted or substituted isoxazolyl, and unsubstituted or substituted pyrazolyl. Provided herein are also methods for the preparation and use of the compounds, and to pharmaceutical compositions containing the same.

  该申请涉及可能作为溴结构域含蛋白质的抑制剂或以其他方式调节溴结构域含蛋白质活性的化合物，包括溴结构域含蛋白质4（BRD4），以及含有这些化合物的组合物和配方，以及使用和制备这些化合物的方法。化合物包括式I的化合物，其中R、R2、R3、R4、R7、W、X如本文所述，Z选自未取代或取代的异唑啉基和未取代或取代的吡唑基。此外，还提供了制备和使用这些化合物的方法，以及含有这些化合物的药物组合物。

表征谱图