2-溴-4-甲基-1H-咪唑 | 23328-88-3

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 2-溴-4-甲基-1H-咪唑
• 英文名称: 2-bromo-4-methyl-1H-imidazole
• 英文别名: 2-bromo 4-methyl imidazole；2-bromo-5-methyl-1H-imidazole
• CAS: 23328-88-3
• 化学式: C₄H₅BrN₂
• 分子量: 161.001
• InChiKey: AYQISCMXBQVMSY-UHFFFAOYSA-N

物化性质

• 熔点：
  110-114
• 沸点：
  280.7±33.0 °C(Predicted)
• 密度：
  1.723±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933290090
• 危险品标志：
  Xi
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  存储条件：2-8°C，密封保存，干燥处避光。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-4-methyl-1H-imidazole
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-4-methyl-1H-imidazole
CAS number: 23328-88-3

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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: C4H5BrN2
Molecular weight: 161.0

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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 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-4-甲基-1H-咪唑 、 醋酸甲脒 在 potassium hydroxide 、 碳酸氢钠 、 hydroxylamine-O-sulfonic acid 作用下， 以 水 、 异丙醇 为溶剂， 反应 21.33h， 以63%的产率得到N-(2-bromo-4-methyl-1H-imidazol-1-yl)formimidamide
  参考文献：
  名称：

  多功能咪唑并[5,1- f ] [1,2,4]三嗪-4（3 H）-ones的简捷合成

  摘要：

  从三步线性咪唑起始物，开发了一系列咪唑并[5,1- f ] [1,2,4]三嗪-4（3 H）-ones的合成。合成过程始于亲电胺化反应，因此进行了严格的鉴定安全试剂和反应条件的活动，以确保大规模制备这些通用中间体的安全性。以这些底物上关键位置的功能化为例，以展示执行后期多样化以进行有效SAR发现的能力。

  DOI：

  10.1021/acs.oprd.7b00333
• 作为产物：
  描述：

  2,5-二溴-4-甲基咪唑 在 环己酮 、 sodium iodide 作用下， 以 甲苯 为溶剂， 以78.1%的产率得到2-溴-4-甲基-1H-咪唑
  参考文献：
  名称：

  METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND

  摘要：

  公开号：

  EP2141151B1

文献信息

• [EN] P300/CBP HAT INHIBITORS<br/>[FR] INHIBITEURS D'HAT P300/CBP
  申请人：CONSTELLATION PHARMACEUTICALS INC

  公开号：WO2019161162A1

  公开（公告）日：2019-08-22

  Provided are compounds of Formula (I): and pharmaceutically acceptable salts and compositions thereof, which are useful for treating a variety of conditions associated with histone acetyltransferase (HAT).

  提供的是Formula (I)的化合物及其药用可接受的盐和组合物，可用于治疗与组蛋白乙酰转移酶（HAT）相关的各种疾病。
• [EN] HETEROARYLBENZIMIDAZOLE COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROARYLBENZIMIDAZOLE
  申请人：BAYER PHARMA AG

  公开号：WO2017102091A1

  公开（公告）日：2017-06-22

  The present invention covers heteroarylbenzimidazole compounds of general formula (I) in which R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative and/or inflammatory disorders, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式（I）中的杂环芳基苯并咪唑化合物，其中R1、R2、R3、R4和R5如本文所定义，制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗或预防过度增殖和/或炎症性疾病的药物组合物，作为唯一活性成分或与其他活性成分组合使用。
• [EN] PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE TYROSINE PHOSPHATASE ET LEURS MÉTHODES D'UTILISATION
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2021127499A1

  公开（公告）日：2021-06-24

  Provided herein are compounds, compositions, and methods useful for inhibiting protein tyrosine phosphatase, e.g, protein tyrosine phosphatase non-receptor type 2 (PTPN2) and/or protein tyrosine phosphatase non-receptor type 1 (PTPN1), and for treating related diseases, disorders and conditions favorably responsive to PTPN1 or PTPN2 inhibitor treatment, e.g, a cancer or a metabolic disease.

  本文提供了用于抑制蛋白酪氨酸磷酸酶的化合物、组合物和方法，例如蛋白酪氨酸磷酸酶非受体型2（PTPN2）和/或蛋白酪氨酸磷酸酶非受体型1（PTPN1），以及用于治疗对PTPN1或PTPN2抑制剂治疗有良好反应的相关疾病、紊乱和状况的方法，例如癌症或代谢性疾病。
• [EN] FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES<br/>[FR] DÉRIVÉS DE PYRIMIDONE À CYCLES FUSIONNÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B OU DE MALADIES INDUITES PAR LE VIRUS DE L'HÉPATITE B
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020182990A1

  公开（公告）日：2020-09-17

  The present application relates to compounds according to Formula (I), pharmaceutical compositions comprising at least one of said compounds, their use as a medicament, and their use in treating chronic hepatitis B virus (HBV) infection. The disclosure further pertains to methods for preparing compounds according to Formula (I).

  本申请涉及按照式(I)的化合物，包括至少一种所述化合物的药物组合物，其作为药物的用途，以及其在治疗慢性乙型肝炎病毒（HBV）感染中的用途。该公开还涉及按照式(I)制备化合物的方法。
• [EN] PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS<br/>[FR] PURINONES UTILISÉS COMME INHIBITEURS DE LA PROTÉASE SPÉCIFIQUE DE L'UBIQUITINE 1
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2017087837A1

  公开（公告）日：2017-05-26

  The application relates to inhibitors of USP1 useful in the treatment of cancers, and other USP1 associated diseases and disorders, having the Formula: (I), where R1, R2, R3, R3', R4, R5, X1, X2, X3, X4, and n are described herein.

  该应用涉及对USP1的抑制剂，用于治疗癌症和其他与USP1相关的疾病和紊乱，其化学式为：(I)，其中R1、R2、R3、R3'、R4、R5、X1、X2、X3、X4和n如本文所述。