5(4)-碘-4(5)-甲基-咪唑 | 15813-07-7

• 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: 5(4)-碘-4(5)-甲基-咪唑
• 中文别名: 5-碘-4-甲基-1H-咪唑；4-碘-5-甲基-1H-咪唑
• 英文名称: 4-iodo-5-methyl-1H-imidazole
• CAS: 15813-07-7
• 化学式: C₄H₅IN₂
• 分子量: 208.002
• InChiKey: YKQGANWRJDKVAD-UHFFFAOYSA-N

物化性质

• 沸点：
  349.9±22.0 °C(Predicted)
• 密度：
  2.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 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
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  应存放在室温、避光且充满惰性气体的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5(4)-Iodo-4(5)-methyl-imidazole
Synonyms: 5-iodo-4-methyl-1H-imidazole

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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(4)-Iodo-4(5)-methyl-imidazole
CAS number: 15813-07-7

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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：

  2-氯-5-甲基吡嗪 、 5(4)-碘-4(5)-甲基-咪唑 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 以36%的产率得到2-(4-iodo-5-methyl-1H-imidazol-1-yl)-5-methylpyrazine
  参考文献：
  名称：

  [EN] ALKYNYL-(HETEROARYL)-CARBOXAMIDE HCN1 INHIBITORS
  [FR] INHIBITEURS D'ALCYNYLE- (HÉTÉROARYL)-CARBOXAMIDE HCN1

  摘要：

  本发明提供了公式（I）的化合物，公式（I）中R1、R2或R3如本文所述，以及其药学上可接受的盐。此外，本发明涉及制备公式（I）的化合物，包含它们的药物组合物以及作为药物使用的方法。

  公开号：

  WO2021110574A1
• 作为产物：
  描述：

  4-甲基咪唑 在 碘 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 生成 5(4)-碘-4(5)-甲基-咪唑
  参考文献：
  名称：

  [EN] FACTOR XIa INHIBITORS
  [FR] INHIBITEURS DU FACTEUR XIA

  摘要：

  本发明提供了一种化合物（I）的化合物，以及包含一种或多种所述化合物的药物组合物，并且提供了使用所述化合物用于治疗或预防血栓形成、栓塞、高凝血性或纤维变化的方法。这些化合物是选择性因子XIa抑制剂或因子XIa和血浆激肽酶的双重抑制剂。

  公开号：

  WO2017074832A1

文献信息

• [EN] HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE LA SYNTHÈSE DES LIPIDES ET COMBINAISONS EN CONTENANT
  申请人：3 V BIOSCIENCES INC

  公开号：WO2015095767A1

  公开（公告）日：2015-06-25

  Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

  提供了杂环调节剂脂质合成以及其药用盐；包括这些化合物的药物组合物；以及通过给予这些化合物和其他治疗剂的组合来治疗脂肪酸合酶途径失调症状的方法。
• [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。
• [EN] N-PYRIDINYL ACETAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY<br/>[FR] DÉRIVÉS DE N-PYRIDYL ACÉTAMIDE UTILISÉS COMME INHIBITEURS DE LA VOIE DE SIGNALISATION WNT
  申请人：REDX PHARMA PLC

  公开号：WO2016055786A1

  公开（公告）日：2016-04-14

  This invention relates to compounds. More specifically, the invention relates to compounds useful as inhibitors of the Wnt signalling pathway. Specifically, inhibitors of Porcupine (Porcn) are contemplated by the invention. In addition the invention contemplates processes to prepare the compounds and uses of the compounds. The compounds of the invention may therefore be used in treating conditions mediated by the Wnt signalling pathway, for example treating cancer, sarcoma, melanoma, skin cancer, haematological tumors, lymphoma, carcinoma, and leukemia; or enhancing the effectiveness of an anti-cancer treatment.

  这项发明涉及化合物。更具体地，该发明涉及作为Wnt信号通路抑制剂的化合物。具体来说，该发明考虑了Porcupine（Porcn）的抑制剂。此外，该发明考虑了制备这些化合物的过程以及这些化合物的用途。因此，该发明的化合物可用于治疗由Wnt信号通路介导的疾病，例如治疗癌症、肉瘤、黑色素瘤、皮肤癌、血液肿瘤、淋巴瘤、癌症和白血病；或增强抗癌治疗的有效性。
• [EN] HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS<br/>[FR] MODULATEURS HÉTÉROCYCLIQUES DE LA SYNTHÈSE DES LIPIDES
  申请人：3 V BIOSCIENCES INC

  公开号：WO2014008197A1

  公开（公告）日：2014-01-09

  Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds.

  提供了异环调节脂质合成的调节剂及其药用盐；包括这些化合物的药物组合物；以及通过给予这些化合物来治疗由于脂肪酸合酶途径失调而表现出的疾病的方法。
• Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors
  申请人：Merck & Co., Inc.

  公开号：US05932606A1

  公开（公告）日：1999-08-03

  A compound which inhibits human thrombin and where has the structure and pharmaceutically acceptable salts thereof, wherein such as ##STR1## which are useful for inhibiting formation of blood platelet aggregates in blood in a mammal.

  一种抑制人类凝血酶并具有其结构和药用盐的化合物，其中包括##STR1##，可用于抑制哺乳动物体内血小板聚集的形成。