5-溴-4-氯喹唑啉 | 2148-38-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 5-溴-4-氯喹唑啉
• 中文别名: 4-氯-5-溴喹唑啉；5-溴-4—氯喹唑啉
• 英文名称: 5-bromo-4-chloroquinazoline
• CAS: 2148-38-1
• 化学式: C₈H₄BrClN₂
• 分子量: 243.49
• InChiKey: XCVRQUJTALTMRU-UHFFFAOYSA-N

物化性质

• 熔点：
  160-163 °C
• 沸点：
  339.7±22.0 °C(Predicted)
• 密度：
  1.762±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 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：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-4-chloroquinazoline
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-Bromo-4-chloroquinazoline
CAS number: 2148-38-1

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H4BrClN2
Molecular weight: 243.5

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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：

  5-溴-4-氯喹唑啉 在 吡啶 、 盐酸 、 manganese(IV) oxide 、 potassium tert-butylate 、 sodium hydride 、 碳酸氢钠 作用下， 以 四氢呋喃 、 乙醚 、 苯 为溶剂， 反应 93.67h， 生成 ethyl 1-bromo-9H-diimidazo<1,5-a:1',2'-d><1,4>benzodiazepine-8-carboxylate
  参考文献：
  名称：

  New Tetracyclic Derivatives of Imidazo[1,5-a][1,4]benzodiazepines and of Imidazo[1,5-a]-thieno[3,2-f][1,4]-diazepines

  摘要：

  The synthesis of new tetracyclic 1,4-diazepine derivatives is described. In these compounds, an additional five-membered heterocycle is fused on the known tricyclic ring systems imidazo[1,5-a][1,4]benzodiazepine and imidazo[1,5-a]thieno[3,2-f][1,4]diazepine. Many of these new compounds display a very high affinity to the benzodiazepine receptor in mammals.

  DOI：

  10.3987/com-94-s(b)61
• 作为产物：
  描述：

  5-bromoquinazolin-4(3H)-one 在 N,N-二甲基对甲苯胺 、 三氯氧磷 作用下， 以 氯仿 为溶剂， 反应 16.0h， 以81%的产率得到5-溴-4-氯喹唑啉
  参考文献：
  名称：

  New Tetracyclic Derivatives of Imidazo[1,5-a][1,4]benzodiazepines and of Imidazo[1,5-a]-thieno[3,2-f][1,4]-diazepines

  摘要：

  The synthesis of new tetracyclic 1,4-diazepine derivatives is described. In these compounds, an additional five-membered heterocycle is fused on the known tricyclic ring systems imidazo[1,5-a][1,4]benzodiazepine and imidazo[1,5-a]thieno[3,2-f][1,4]diazepine. Many of these new compounds display a very high affinity to the benzodiazepine receptor in mammals.

  DOI：

  10.3987/com-94-s(b)61

文献信息

• Imidazodiazepine derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05387585A1

  公开（公告）日：1995-02-07

  The novel imidazodiazepine derivatives of the formula: ##STR1## wherein the substituents are as described in the specification, can be used for the control or prevention of epileptic seizures, anxiety, tension and excitation states, sleep disorders, schizophrenic symptoms, hepatic encephalopathy and senile dementia, as well as, in the partial or complete antagonization of undesired side-effects of substances acting on benzodiazepine receptors after over-dosage or after their use in intensive medicine and in anesthesia.

  翻译结果如下： 所述的咪唑二氮䓬衍生物的公式为：##STR1##，其中取代基如说明书中所述，可用于控制或预防癫痫发作、焦虑、紧张和兴奋状态、睡眠障碍、精神分裂症症状、肝性脑病和老年痴呆症，以及部分或完全拮抗在过量使用或在其在重症医学和麻醉中使用后作用于苯二氮䓬受体的物质的副作用。
• [EN] GLYCINE METABOLISM MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DU MÉTABOLISME DE LA GLYCINE ET LEURS UTILISATIONS
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2018021977A1

  公开（公告）日：2018-02-01

  The present invention relates to a compound of general formula (I) and/or its solvates, hydrates and pharmaceutically acceptable salts, which are modulators of glycine metabolism. The present invention also relates to the methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of disorders/conditions/diseases involving, relating to or associated with glycine metabolism or a pathway where glycine decarboxylase (GLDC, or glycine cleavage system) plays a role. In a preferred embodiment the disorders/conditions/disease is cancer, inflammatory conditions, Alzheimer's disease, metabolic disorders and CNS disorders.

  本发明涉及一般式(I)的化合物及/或其溶剂合物、水合物和药学上可接受的盐，这些化合物是甘氨酸代谢调节剂。本发明还涉及其制备方法、含有这些化合物的药物组合物以及这些化合物在治疗涉及或与甘氨酸代谢或甘氨酸脱羧酶（GLDC，或甘氨酸裂解系统）发挥作用的病症/疾病/疾病的用途。在一个首选实施例中，疾病/疾病是癌症、炎症性疾病、阿尔茨海默病、代谢性疾病和中枢神经系统疾病。
• Tetracyclische Imidazodiazepine
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0519307A2

  公开（公告）日：1992-12-23

  Die neuen Imidazodiazepin-Derivate der allgemeinen Formel worin A zusammen mit den beiden mit a und β bezeichneten Kohlenstoffatomen eine der Gruppen

  通式中的新咪唑二氮杂卓衍生物，其中 A 与指定为 a 和 β 的两个碳原子形成基团之一
• US5387585A
  申请人：——

  公开号：US5387585A

  公开（公告）日：1995-02-07
• New Tetracyclic Derivatives of Imidazo[1,5-a][1,4]benzodiazepines and of Imidazo[1,5-a]-thieno[3,2-f][1,4]-diazepines
  作者：Max Gerecke、Emilio Kyburz、René Boner、Walter Gassner

  DOI：10.3987/com-94-s(b)61

  日期：——

  The synthesis of new tetracyclic 1,4-diazepine derivatives is described. In these compounds, an additional five-membered heterocycle is fused on the known tricyclic ring systems imidazo[1,5-a][1,4]benzodiazepine and imidazo[1,5-a]thieno[3,2-f][1,4]diazepine. Many of these new compounds display a very high affinity to the benzodiazepine receptor in mammals.