2-碘-1-三苯基咪唑 | 67478-46-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 2-碘-1-三苯基咪唑
• 中文别名: 2-碘-1-三苯甲基-1H-咪唑
• 英文名称: 2-iodo-1-trityl-1H-imidazole
• 英文别名: 2-iodo-1-tritylimidazole
• CAS: 67478-46-0
• 化学式: C₂₂H₁₇IN₂
• mdl: MFCD02179529
• 分子量: 436.295
• InChiKey: AAHIYUWXFHXGBO-UHFFFAOYSA-N

物化性质

• 熔点：
  170-171℃

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.045
• 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
• 海关编码：
  2933290090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Iodo-1-trityl-1H-imidazole
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 2-Iodo-1-trityl-1H-imidazole
CAS number: 67478-46-0

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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
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: C22H17IN2
Molecular weight: 436.3

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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-碘-1-三苯基咪唑 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 5.0h， 以88%的产率得到2-碘咪唑
  参考文献：
  名称：

  Palladium-Catalyzed Intramolecular Arylation of N-Benzyl-2-iodoimidazoles: A Facile and Rapid Access to 5H-Imidazo[2,1-a]isoindoles

  摘要：

  首次报道了一种钯催化下的咪唑环C-2位点参与的分子内芳基化反应。应用此反应，可以一步从N-苄基-2-碘咪唑合成5H-咪唑并[2,1-a]异吲哚。微波辐照加速了反应速率，使得多种咪唑并[2,1-a]异吲哚类似物的合成成为可能。

  DOI：

  10.1055/s-2007-965896
• 作为产物：
  描述：

  N-三苯甲基咪唑 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以88%的产率得到2-碘-1-三苯基咪唑
  参考文献：
  名称：

  Palladium-Catalyzed Intramolecular Arylation of N-Benzyl-2-iodoimidazoles: A Facile and Rapid Access to 5H-Imidazo[2,1-a]isoindoles

  摘要：

  首次报道了一种钯催化下的咪唑环C-2位点参与的分子内芳基化反应。应用此反应，可以一步从N-苄基-2-碘咪唑合成5H-咪唑并[2,1-a]异吲哚。微波辐照加速了反应速率，使得多种咪唑并[2,1-a]异吲哚类似物的合成成为可能。

  DOI：

  10.1055/s-2007-965896

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES CUTANÉS
  申请人：KAMARI PHARMA LTD

  公开号：WO2021154966A1

  公开（公告）日：2021-08-05

  Provided herein is a compound of formula (XXXII) or a pharmaceutically acceptable salt, solvate, hydrate, stereoisomer thereof or a physiologically functional derivative thereof, wherein R1, R2, R3, G, A, E, n, p, and q are defined herein. Also provided herein are compositions comprising a compound of formula (XXXII), and methods of using a compound of formula (XXXII), e.g., in the treatment or prevention of skin disorders.

  提供了一种公式（XXXII）的化合物或药用可接受的盐、溶剂化物、水合物、立体异构体或生理功能衍生物，其中R1、R2、R3、G、A、E、n、p和q在此定义。此外，还提供了包含公式（XXXII）化合物的组合物，以及使用公式（XXXII）化合物的方法，例如，在治疗或预防皮肤病中的应用。
• FRICTIONLESS MOLECULAR ROTARY MOTORS
  申请人：Keinan Ehud

  公开号：US20100016610A1

  公开（公告）日：2010-01-21

  A rotaxane consisting of a cucurbituril and an uncharged guest molecule, having low or null affinity therebetween is provided as well as processes for providing the same. Various uses as energy converters (“frictionless” molecular motors), biochips and biosensors using the same are also provided.

  提供了由葫芦醚和一个不带电的客体分子组成的轮烷，并提供了它们之间具有低或无亲和力的过程。还提供了使用这种轮烷作为能量转换器（“无摩擦”分子马达）、生物芯片和生物传感器的各种用途。
• 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES
  申请人：Aissaoui Hamed

  公开号：US20100093740A1

  公开（公告）日：2010-04-15

  The invention relates to 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives of formula (I), wherein X represents CH 2 or O; R 1 represents a phenyl group, which group is independently mono-, di-, or tri-substituted wherein the substituents are independently selected from the group consisting of (C 1-4 )alkyl, (C 1-4 )alkoxy, halogen, cyano, trifluoromethoxy and trifluoromethyl; R 2 represents (C 1-4 )alkyl, (C 1-4 )alkoxy, (C 2-4 )alkenyl, halogen, cyano, hydroxymethyl, trifluoromethyl, C(O)NR 5 R 6 or cyclopropyl; R 3 represents (C 1-4 )alkyl, (C 1-4 )alkoxy-methyl or halogen; R 4 represents (C 1-4 )alkyl; R 5 represents hydrogen or (C 1-4 )alkyl; and R 6 represents hydrogen or (C 1-4 )alkyl. The invention also relates to pharmaceutically acceptable salts of such compounds; and to the use of such compounds as medicaments; especially as orexin receptor antagonists.

  本发明涉及公式（I）的5,6,7,8-四氢咪唑[1,5-a]吡嗪衍生物，其中X代表CH2或O; R1代表苯基，该基团独立地单取代、双取代或三取代，其中取代基独立地选自由（C1-4）烷基，（C1-4）烷氧基，卤素，氰基，三氟甲氧基和三氟甲基的群组; R2代表（C1-4）烷基，（C1-4）烷氧基，（C2-4）烯基，卤素，氰基，羟甲基，三氟甲基，C（O）NR5R6或环丙基; R3代表（C1-4）烷基，（C1-4）烷氧甲基或卤素; R4代表（C1-4）烷基; R5代表氢或（C1-4）烷基; R6代表氢或（C1-4）烷基。本发明还涉及这种化合物的药学上可接受的盐;以及将这种化合物用作药物的用途;特别是作为促进睡眠激素受体拮抗剂。
• [EN] WDR5 INHIBITORS AND MODULATORS<br/>[FR] MODULATEURS ET INHIBITEURS DE WDR5
  申请人：UNIV VANDERBILT

  公开号：WO2020086857A8

  公开（公告）日：2020-11-12
• Coutts, Ian G. C.; Jieng, Shende; Khandelwahl, Ghanshyam D., Journal of Heterocyclic Chemistry, 1994, vol. 31, # 4, p. 857 - 860
  作者：Coutts, Ian G. C.、Jieng, Shende、Khandelwahl, Ghanshyam D.、Wood, Michael L.

  DOI：——

  日期：——