6-溴-4-氯-2-甲基喹唑啉 | 351426-04-5

• 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: 6-溴-4-氯-2-甲基喹唑啉
• 英文名称: 6-bromo-4-chloro-2-methylquinazoline
• CAS: 351426-04-5
• 化学式: C₉H₆BrClN₂
• 分子量: 257.517
• InChiKey: RKYJNZAWEQIQOF-UHFFFAOYSA-N

物化性质

• 沸点：
  268.6±22.0 °C(Predicted)
• 密度：
  1.667±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 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
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 6-Bromo-4-chloro-2-methylquinazoline
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Bromo-4-chloro-2-methylquinazoline
CAS number: 351426-04-5

---

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.

---

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.

---

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.

---

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, refrigerated.

---

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.

---

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: C9H6BrClN2
Molecular weight: 257.5

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-溴-4-氯-2-甲基喹唑啉 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 100.0 ℃ 、1.48 MPa 条件下， 反应 19.0h， 生成 2-(4-{[(1R)-1-(3-chlorophenyl)ethyl]amino}-2-methylquinazolin-6-yl)propan-2-ol
  参考文献：
  名称：

  [EN] 2-METHYL-QUINAZOLINES
  [FR] 2-MÉTHYL-QUINAZOLINES

  摘要：

  本发明描述了一般式(I)的2-甲基喹唑啉化合物，制备该化合物的方法，用于制备该化合物的中间体化合物，包含该化合物的药物组合物和组合物，以及用于制造药物组合物的该化合物的用途。一般式(I)的2-甲基取代喹唑啉化合物有效且选择性地抑制Ras-Sos相互作用，而不显著靶向EGFR受体。因此，它们对于治疗或预防疾病特别是高增殖性疾病，如癌症作为单一药剂或与其他活性成分组合使用是有用的。

  公开号：

  WO2018172250A1
• 作为产物：
  描述：

  6-溴-2-甲基喹唑啉-4-酮 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 1,2-二氯乙烷 为溶剂， 以87.2 %的产率得到6-溴-4-氯-2-甲基喹唑啉
  参考文献：
  名称：

  [EN] DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF
  [FR] DÉRIVÉ AYANT UNE STRUCTURE CYCLIQUE FUSIONNÉE À LA PYRIMIDINE, ET SON UTILISATION
  [ZH] 一种嘧啶并环结构衍生物及其用途

  摘要：

  公开了一种嘧啶并环结构衍生物及其用途，该类化合物对SOS1蛋白活性具有明显的抑制作用，可作为SOS1蛋白抑制剂，成药性佳，可用以制备治疗由SOS1蛋白介导的癌症、病原性皮疹病等疾病的药物，具有广阔的应用前景。

  公开号：

  WO2022268209A1

文献信息

• [EN] NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS<br/>[FR] NOUVELLES QUINAZOLINES À SUBSTITUTION BENZYLAMINO ET LEURS DÉRIVÉS EN TANT QU'INHIBITEURS DE SOS1
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2018115380A1

  公开（公告）日：2018-06-28

  The present invention encompasses compounds of formula (I), wherein the groups R1 to R7 have the meanings given in the claims and specification, their use as inhibitors of SOS1, pharmaceutical compositions which contain compounds of this kind and their use as medicaments/medical uses, especially as agents for treatment and/or prevention of oncological diseases.

  本发明涵盖了式（I）的化合物，其中基团R1至R7具有权利要求和说明中给定的含义，它们作为SOS1的抑制剂的用途，包含这种化合物的药物组合物以及它们作为药物/医疗用途的用途，特别是作为治疗和/或预防肿瘤疾病的药剂。
• One-Pot Selective Functionalization of Nitrogen-Containing Heterocycles with <i>N</i> -tosylhydrazones and Amines
  作者：Timothée Naret、Tourin Bzeih、Pascal Retailleau、Mouad Alami、Abdallah Hamze

  DOI：10.1002/adsc.201701374

  日期：2018.2.1

  A new one‐pot reaction between N‐tosylhydrazones, nitrogen‐containing heterocycles and amines has been developed. Depending on the reaction conditions chosen, the C−C or C−N bond formation has occurred as a first step controlling the functionalization of the heterocycle. A library of highly substituted heterocycles was then synthesized in moderate to excellent yields.

  已开发出N-甲苯磺酰hydr，含氮杂环与胺之间的新的一锅反应。根据所选的反应条件，CC或CN键的形成已作为控制杂环功能化的第一步。然后以中等至优异的产率合成了高度取代的杂环文库。
• COMPOUNDS AND THERAPEUTICAL USE THEREOF
  申请人：ANDERSON MARK B.

  公开号：US20100069383A1

  公开（公告）日：2010-03-18

  Disclosed are 4-arylamino-quinazolines and analogs thereof that are effective as activators of caspases and inducers of apoptosis. The compounds of this invention are useful in the treatment of a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明揭示了4-芳基氨基喹唑啉及其类似物，其作为caspase的激活剂和诱导凋亡剂具有有效性。该发明的化合物在治疗各种临床病症中有用，其中不受控制的异常细胞生长和扩散发生。
• Compounds and therapeutical use thereof
  申请人：Myrexis, Inc.

  公开号：US08309562B2

  公开（公告）日：2012-11-13

  Disclosed are 4-arylamino-quinazolines and analogs thereof that are effective as activators of caspases and inducers of apoptosis. The compounds of this invention are useful in the treatment of a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明公开了4-芳基氨基喹唑啉及其类似物，可以有效激活半胱氨酸蛋白酶和诱导细胞凋亡。本发明的化合物在治疗各种出现异常细胞不受控制的临床情况中非常有用。
• COMPOUNDS AND THERAPEUTICAL USES THEREOF
  申请人：Myrexis, Inc.

  公开号：US20130029942A1

  公开（公告）日：2013-01-31

  Disclosed are 4-arylamino-quinazolines and analogs thereof that are effective as activators of caspases and inducers of apoptosis. The compounds of this invention are useful in the treatment of a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明揭示了4-芳基氨基喹唑啉及其类似物，它们有效地激活半胱氨酸蛋白酶并诱导细胞凋亡。该发明的化合物在治疗各种临床病症中具有用途，其中包括发生异常细胞无控制生长和扩散的情况。