4-碘-1-甲基咪唑 | 71759-87-0

• 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: 4-碘-1-甲基咪唑
• 中文别名: 4(5)-碘-1-甲基咪唑；N-甲基-4-碘咪唑
• 英文名称: 4-iodo-1-methyl-1H-imidazole
• 英文别名: 4-iodo-1-methylimidazole；4‐iodo‐1‐methyl‐1H‐imidazole
• CAS: 71759-87-0
• 化学式: C₄H₅IN₂
• mdl: MFCD01632214
• 分子量: 208.002
• InChiKey: HUQSHNLGOKQVHA-UHFFFAOYSA-N

物化性质

• 熔点：
  51-54°C
• 沸点：
  299.0±13.0 °C(Predicted)
• 密度：
  2.07±0.1 g/cm3(Predicted)
• 溶解度：
  二氯甲烷（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 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：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 安全说明：
  S26,S36/37/39
• 海关编码：
  2933290090
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Iodo-1-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: 4-Iodo-1-methyl-1H-imidazole
CAS number: 71759-87-0

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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, refrigerated.
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: C4H5IN2
Molecular weight: 208.0

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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 Iodide.

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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：

  4-碘-1-甲基咪唑 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以52%的产率得到5-bromo-4-iodo-1-methylimidazole
  参考文献：
  名称：

  具有1-甲基-4,5-双（芳乙炔基）咪唑骨架的V形荧光团显示固态荧光，酸响应性和显着的荧光溶剂变色

  摘要：

  开发了具有由芳基乙炔基部分组成的咪唑骨架的新型V形荧光团。通过在芳基部分引入吸电子或供电子基团，可以很好地控制其HOMO-LUMO能隙。利用碘和溴基团之间反应性的差异，选择性合成了在4位和5位具有不同取代基的化合物。合成的所有化合物不仅在溶液中而且在固态都显示荧光。具有施主-受主结构的化合物由于其分子内电荷转移特性，在波长超过500 nm时显示最大荧光，并且斯托克斯位移大，约为150 nm。在固态下，合成的化合物具有平面结构，表明π-共轭的膨胀。

  DOI：

  10.1039/d0nj05323f
• 作为产物：
  描述：

  2,4,5-triiodo-1-methyl-imidazole 以63%的产率得到
  参考文献：
  名称：

  SHVARTSBERG M. S.; BIZHAN L. N.; SINYAKOV A. N.; MYASNIKOVA R. N., IZV. AN CCCP CEP. XIM., 1979, HO 7, 1563-1569

  摘要：

  DOI：

文献信息

• Expedient total syntheses of preclathridine A and clathridine A
  作者：Panduka B. Koswatta、Carl J. Lovely

  DOI：10.1016/j.tetlet.2009.06.088

  日期：2009.9

  A short and operationally simple total synthesis of two Leucetta-derived marine alkaloids has been developed, which rely on position specific halogen–metal exchange to introduce the benzyl-substituted side chain. Introduction of the C2 amine group by lithiation and trapping with tosyl azide provides preclathridine A on catalytic hydrogenation, which can be converted to clathridine A by a procedure

  已经开发出一种简短且操作简单的全合成两种Leucetta衍生的海洋生物碱，它们依赖于特定位置的卤素金属交换来引入苄基取代的侧链。通过锂化和用甲苯磺酰基叠氮化引入C 2胺基提供催化氢化中的前clathridine A，可以通过文献中描述的方法将其转化为clathridineA。
• [EN] N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE APPARENTÉS À LA N-ACYLPIPÉRIDINE ÉTHER TROPOMYOSINE
  申请人：PFIZER LTD

  公开号：WO2015092610A1

  公开（公告）日：2015-06-25

  The present invention relates to compounds of Formula (I) described herein and their pharmaceutically acceptable salts, and their use in medicine, in particular as Trk antagonists.

  本发明涉及本文所述的式(I)化合物及其药学上可接受的盐，以及它们在医学上的用途，特别是作为Trk拮抗剂。
• 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof
  申请人：——

  公开号：US20030229079A1

  公开（公告）日：2003-12-11

  Certain 1-(aromatic- or heteroaromatic-substituted-3-(heteroaromatic substituted)-1,3-propanediones are described as inhibitors of HIV integrase and inhibitors of HIV replication. These compounds are useful in the prevention or treatment of infection by HIV and the treatment of AIDS, either as compounds, pharmaceutically acceptable salts, pharmaceutical composition ingredients, whether or not in combination with other antivirals, immunomodulators, antibiotics or vaccines. Methods of treating AIDS and methods of preventing or treating infection by HIV are also described.

  某些1-(芳香基或杂芳基取代的3-(杂芳基取代)-1,3-丙二酮被描述为HIV整合酶的抑制剂和HIV复制的抑制剂。这些化合物在预防或治疗HIV感染以及治疗艾滋病方面是有用的，无论是作为化合物、药学上可接受的盐、药用组合成分，无论是否与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。还描述了治疗艾滋病的方法以及预防或治疗HIV感染的方法。
• [EN] PYRAZOLE CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV<br/>[FR] COMPOSÉS DE PYRAZOLE CARBOXAMIDE POUR LE TRAITEMENT DU VHB
  申请人：ASSEMBLY BIOSCIENCES INC

  公开号：WO2021216642A1

  公开（公告）日：2021-10-28

  The present disclosure provides, in part, pyrazole carboxamide compounds, and pharmaceutical compositions thereof, useful for disruption of HBV core protein assembly, and methods of treating Hepatitis B (HBV) infection.

  本公开提供了吡唑羧酰胺化合物及其药物组合物，用于破坏HBV核心蛋白的组装，并治疗乙型肝炎（HBV）感染的方法。
• [EN] 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS<br/>[FR] DÉRIVÉS DE 4-PHÉNYL-N-(PHÉNYL)THIAZOL-2-AMINE ET COMPOSÉS ASSOCIÉS UTILISÉS COMME AGONISTES DU RÉCEPTEUR D'HYDROCARBURE ARYLE (AHR) POUR LE TRAITEMENT, PAR EX., DE TROUBLE LIÉS À L'ANGIOGENÈSE OU INFLAMMATOIRES
  申请人：IKENA ONCOLOGY INC

  公开号：WO2021127301A1

  公开（公告）日：2021-06-24

  4-phenyl-N-(phenyl)thiazol-2-amine and 4-(pyridin-3-yl)-N-( phenyl) thiazol-2-amine derivatives and the corresponding thiadiazole, thiophene, oxazole, oxadiazole, imidazole and triazole derivatives and related compounds as aryl hydrocarbon receptor (AHR) agonists for the treatment of angiogenesis implicated disorders, such as e.g. retinopathy, psoriasis, rheumatoid arthritis, obesity and cancer, or inflammatory disorders.

  4-苯基-N-(苯基)噻唑-2-胺和4-(吡啶-3-基)-N-(苯基)噻唑-2-胺衍生物以及相应的噻二唑、噻吩、噁唑、噁二唑、咪唑和三唑衍生物和相关化合物作为芳香烃受体（AHR）激动剂，用于治疗涉及血管生成的疾病，例如视网膜病变、银屑病、类风湿性关节炎、肥胖和癌症，或炎症性疾病。