5-碘-1-甲基咪唑 | 71759-88-1

• 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-碘-1-甲基咪唑
• 中文别名: 5-碘-1-甲基-1H-咪唑
• 英文名称: 5-iodo-1N-methyl imidazole
• 英文别名: 5-iodo-1-methyl-1H-imidazole；5-iodo-1-methylimidazole
• CAS: 71759-88-1
• 化学式: C₄H₅IN₂
• mdl: MFCD01632215
• 分子量: 208.002
• InChiKey: DPUVICGLBCCTDM-UHFFFAOYSA-N

物化性质

• 熔点：
  103-104°C
• 沸点：
  299.0±13.0 °C(Predicted)
• 密度：
  2.07±0.1 g/cm3(Predicted)

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

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933290090
• WGK Germany：
  3
• 危险标志：
  GHS07
• 危险性描述：
  H315,H317,H335
• 危险性防范说明：
  P261,P280
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H317: May cause an allergic skin reaction
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Iodo-1-methyl-1H-imidazole
CAS number: 71759-88-1

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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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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.

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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
Melting point: No data
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：

  5-碘-1-甲基咪唑 在 三乙胺 作用下， 以 水 为溶剂， 反应 1.0h， 以95%的产率得到N-甲基咪唑
  参考文献：
  名称：

  用于水中光氧化还原催化的两亲聚合物纳米粒子。

  摘要：

  光氧化还原催化最近已成为有机和聚合物化学中一种强大的合成工具。与在有机溶剂中取得的巨大成就相反，在水性介质中有效地进行光催化过程遇到了一些挑战。在此，介绍了如何将两亲性单链聚合物纳米颗粒（SCPN）用作小型反应器，以在水中进行光驱动的化学反应。通过在聚合物支架中加入吩噻嗪（PTH）催化剂，在环境条件下暴露于紫外线下即可进行无金属还原和C-C交叉偶联反应。该方法的多功能性以较大的基材范围，对氧气的耐受性和出色的可回收性为重点。

  DOI：

  10.1002/chem.202001767
• 作为产物：
  描述：

  N-甲基咪唑 在 正丁基锂 、 四甲基乙二胺 、 碘 作用下， 以 正戊烷 、 四氢呋喃 为溶剂， 反应 1.42h， 以65%的产率得到5-碘-1-甲基咪唑
  参考文献：
  名称：

  通过C-8酮中间体合成手性毛果芸香碱类似物。

  摘要：

  已经完成了手性毛果芸香碱类似物3的合成，其中内酯环被恶唑烷酮取代并且桥连的亚甲基处于酮氧化态。通过将其还原为两种醇差向异构体并与亚甲基叶立德反应，证明了该化合物作为制备更复杂结构的关键中间体的用途。

  DOI：

  10.1021/jo0111210

文献信息

• Novel farnesyl protein transferase inhibitors as antitumor agents
  申请人：Schering Corporation

  公开号：US20040122018A1

  公开（公告）日：2004-06-24

  Disclosed are novel tricyclic compounds represented by the formula (1.0): 1 and a pharmaceutically acceptable salt or solvate thereof. The compounds are useful for inhibiting farnesyl protein transferase. Also disclosed are pharmaceutical compositions comprising compounds of formula 1.0. Also disclosed are methods of treating cancer using the compounds of formula 1.0.

  揭示了由式（1.0）表示的新型三环化合物： 1 及其药学上可接受的盐或溶剂。这些化合物对于抑制法尼西基蛋白转移酶是有用的。还揭示了包括式1.0化合物的药物组合物。还揭示了使用式1.0化合物治疗癌症的方法。
• Farnesyltransferase inhibitors
  申请人：——

  公开号：US20030087940A1

  公开（公告）日：2003-05-08

  Substituted imidazoles and thiazoles having the formula 1 are useful for inhibiting farnesyltransferase. Also disclosed are farnesyltransferase-inhibiting compositions and methods of inhibiting farnesyltransferase in a patient.

  具有以下化学式的取代咪唑和噻唑对抑制法尼基转移酶具有用处。还公开了抑制法尼基转移酶的组合物和在患者中抑制法尼基转移酶的方法。
• [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。
• [EN] 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS<br/>[FR] 6-HÉTÉROARYLOXY BENZIMIDAZOLES ET AZABENZIMIDAZOLES EN TANT QU'INHIBITEURS DE JAK2
  申请人：AJAX THERAPEUTICS INC

  公开号：WO2021226261A1

  公开（公告）日：2021-11-11

  The present disclosure provides 6-heteroaryloxy benzimidazole and azabenzimidazole compounds and compositions thereof useful for inhibiting JAK2.

  本公开提供了6-杂芳氧基苯并咪唑和氮杂苯并咪唑化合物及其组合物，用于抑制JAK2。
• Fused Bicyclic Kinase Inhibitors
  申请人：Mulvihill Mark J.

  公开号：US20110281888A1

  公开（公告）日：2011-11-17

  Compounds of Formula I, as shown below and defined herein: pharmaceutically acceptable salts thereof, synthesis, intermediates, formulations, and methods of disease treatment therewith, including treatment of cancers, such as tumors driven at least in part by at least one of RON, MET or ALK. This Abstract is not limiting of the invention.

  公式I的化合物如下所示并在此定义： 其药用可接受盐、合成、中间体、配方以及使用其进行疾病治疗的方法，包括治疗癌症，如至少部分由RON、MET或ALK驱动的肿瘤。本摘要不限制该发明。