2-溴咪唑[1,2-A]吡啶 | 112581-95-0

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 中文名称: 2-溴咪唑[1,2-A]吡啶
• 中文别名: 2-溴氮茚；2-溴咪唑并[1,2-a]吡啶；2-溴咪唑[1,2-a]吡啶；2-溴代咪唑并[1,2-a]吡啶
• 英文名称: 2-Bromoimidazo[1,2-a]pyridine
• CAS: 112581-95-0
• 化学式: C₇H₅BrN₂
• 分子量: 197.034
• InChiKey: GZMVKXPKVWQQLO-UHFFFAOYSA-N

物化性质

• 密度：
  1.69±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 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：
  17.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromoimidazo[1,2-a]pyridine
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-Bromoimidazo[1,2-a]pyridine
CAS number: 112581-95-0

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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: C7H5BrN2
Molecular weight: 197.0

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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-溴咪唑[1,2-A]吡啶 在 四(三苯基膦)钯 、 硫酸 、 氢气 、 硝酸 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醇 、 水 、 甲苯 为溶剂， 反应 25.0h， 生成 N-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-acetamide
  参考文献：
  名称：

  的多功能对2-氯-3-硝基咪唑并反应[1,2勘探一个扩大C2-和C3-官能咪唑的结构多样性[1,2：]吡啶一〕吡啶

  摘要：

  已经开发了功能化2-氯-3-硝基咪唑并[1,2- a ]吡啶的替代策略。Suzuki-Miyaura交叉偶联反应可轻松提供相应的2-芳基化化合物，并由此将硝基还原为胺，从而在3位提供酰胺，苯胺和脲。据报道，使用金属催化的反应使关键化合物胺化。这项研究强调了硝基基团促进氯置换的重要性。其他亲核芳族取代为从咪唑并[1,2- a ]吡啶衍生的各种产物开辟了一条途径。

  DOI：

  10.1016/j.tetlet.2013.07.113
• 作为产物：
  描述：

  1-(2-Bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea 生成 2-溴咪唑[1,2-A]吡啶
  参考文献：
  名称：

  ISIDA, YASUO;OTA, KADZUNARI;NAKAXAMA, MATSUO;JOSIKAVA, XARUTOSI

  摘要：

  DOI：

文献信息

• [EN] FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIBACTÉRIENS DE 2-PYRIDINONE POLYCYCLIQUE
  申请人：PTC THERAPEUTICS INC

  公开号：WO2016109706A1

  公开（公告）日：2016-07-07

  The present description relates to fused polycyclic 2-pyridinone compounds and forms and pharmaceutical compositions thereof and methods of using such compounds, forms or compositions thereof for treating or ameliorating a wild-type or drug-resistant form of N. gonorrhoeae or N. meningitides. A compound of Formula (la), Formula (lb) or Formula (Ic), or a form thereof, wherein the dashed lines represent one or more double bonds optionally present where allowed by available valences.

  本描述涉及融合的多环2-吡啶酮化合物及其形式和药物组合物，以及使用这些化合物、形式或组合物治疗或改善N. gonorrhoeae或N. meningitides的野生型或耐药型的方法。其中，化合物的化学式为（la）、（lb）或（Ic），或其形式，其中虚线代表一个或多个双键，根据可用的价键允许的情况下可选择地存在。
• 1-Phenyl-<i>N</i>-(benzothiazol-2-yl)methanimine derivatives as Middle East respiratory syndrome coronavirus inhibitors
  作者：Min-Qi Hu、Heng Li、Ying Lin、Ying Zhang、Jie Tang、Jian-Ping Zuo、Li-Fang Yu、Xian-Kun Tong、Wei Tang、Fan Yang

  DOI：10.1039/d0ra08442e

  日期：——

  A series of novel 1-phenyl-N-(benzothiazol-2-yl)methanimine derivatives were synthesized and their in vitro inhibitory potencies were evaluated on MERS-S pseudovirus.

  一系列新颖的1-苯基-N-(苯并噻唑-2-基)甲醛亚胺衍生物被合成，并在MERS-S假病毒上评估了它们的体外抑制效力。
• [EN] BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS PAR HÉTÉROARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018013774A1

  公开（公告）日：2018-01-18

  Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

  公开了公式(I)至(VIII)的化合物：(I) (II) (III) (IV) (V) (VI) (VII) (VIII)；或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中R3是与0至3个R3a取代的双环杂芳基团；且R1、R2、R3a、R4和n在此定义。还公开了使用这些化合物作为PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物用于抑制或预防血小板聚集，用于治疗血栓栓塞障碍或作为血栓栓塞障碍的初级预防。
• A Cu(<scp>ii</scp>)-promoted tandem decarboxylative halogenation and oxidative diamination reaction of 2-aminopyridines with alkynoic acids for the synthesis of 2-haloimidazo[1,2-<i>a</i>]pyridines
  作者：Yun Liu、Wenhui Wang、Junwen Han、Jinwei Sun

  DOI：10.1039/c7ob02014g

  日期：——

  2-aminopyridines with alkynoic acids has been developed for the synthesis of 2-haloimidazo[1,2-a]pyridines. In this reaction, two C-N bonds and one C-halogen bond are formed in one pot, generating the desired products in good yields. This is the first report for the synthesis of 2- haloimidazo [1,2-a]pyridine derivatives from alkynoic acids.

  已经开发了铜促进的2-氨基吡啶与炔酸的级联脱羧卤化和氧化氨化反应顺序，用于合成2-卤代咪唑并[1,2-a]吡啶。在该反应中，在一个罐中形成两个CN键和一个C-卤素键，以高收率产生所需的产物。这是由炔酸合成2-卤代咪唑并[1,2-a]吡啶衍生物的第一份报告。
• New adenosine receptor ligands and uses thereof
  申请人：Domain Therapeutics

  公开号：EP2210891A1

  公开（公告）日：2010-07-28

  The present invention provides new compounds with high affinity for adenosine A2A receptors. It also provides antagonists of adenosine A2A receptors and their use as medicaments for the treatment and/or prophylaxis of diseases and disorders where the partial or total inactivation of adenosine A2A receptors signalling pathways could be beneficial such as Alzheimer's disease, Parkinson's disease, attention deficit and hyperactivity disorders (ADHD), Huntington's disease, neuroprotection, schizophrenia, anxiety and pain. The present invention further relates to pharmaceutical compositions containing such new compounds with high affinity for adenosine A2A receptors and their use for the treatment and/or prophylaxis of diseases and disorders where the partial or total inactivation of adenosine A2A receptors could be beneficial.

  本发明提供了对腺苷A2A受体具有高亲和力的新化合物。它还提供了腺苷A2A受体的拮抗剂，以及它们作为药物用于治疗和/或预防部分或完全失活腺苷A2A受体信号通路可能有益的疾病和疾病，如阿尔茨海默病、帕金森病、注意力缺陷和多动症（ADHD）、亨廷顿病、神经保护、精神分裂症、焦虑和疼痛。本发明还涉及含有对腺苷A2A受体具有高亲和力的新化合物的药物组合物，以及它们用于治疗和/或预防部分或完全失活腺苷A2A受体可能有益的疾病和疾病。