CAS: 96797-15-8; 4-Iodo-1-Trityl-1H-Imidazole

• 英文名称4-Iodo-1-Trityl-1H-Imidazole
• 中文名称4-碘-1-三苯甲基-1H-咪唑
• IUPAC名称4-iodo-1-trityl-1H-imidazole
• 其它别名4-碘-1-三苯甲基咪唑; 1-(Triphenylmethyl)-4-Iodoimidazole; 1-Trityl-4-Iodoimidazole; 4-Iodo-1-(Triphenylmethyl)Imidazole; 4-Iodo-1-Trityl-1H-Imidazole; 4-Iodo-1-Tritylimidazole; N1-Trityl-4-Iodoimidazole
• CAS编号96797-15-8
• MFCD编号:MFCD02179542
• EINECS号:673-686-8
• 分子式:C22H17IN2
• 分子量:436.29
• 产品CID: 2018846
• 产品分类有机原料→分子砌块→芳杂环类化合物→咪唑类化合物

• 相似结构搜索
• InChIKey: DXJZJYPLPZEYBH-UHFFFAOYSA-N
• InChI=1S/C22H17IN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H…
• 计算化学: 氢键受体数2.0氢键供体数0可旋转键数4

相似化合物

物理性质

• 熔点224°C
• 沸点509.7°C at 760 mmHg
• 闪点262.0±28.7 °C
• 密度1.4±0.1 g/cm3
• pKa:3.80±0.61(预测)
• PSA:17.82
• LogP:5.3279
• 折射率1.653
• 蒸汽压0.0±1.3 mmHg at 25°C
• 溶解性Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Very Slightly)
• 外观形态白色固体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物是有机合成中使用的一种化合物.

MSDS等安全信息

• GHS符号GHS07
• 危险类别水生慢性毒性 类别4
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning
• 危险描述H413 |可能对水生生物造成长期有害影响.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 风险等级Irritant
• 安全声明26-36/37/39
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 22 H,20 - 25 °C
  标题:Preparation Of (2-(1H-Imidazol-4-Yl)Phenyl)Methanol
  参考文献:China]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 24 H,20 °C
  标题:Discovery Of Imidazoleisoindole Derivatives As Potent Ido1 Inhibitors: Design,Synthesis,Biological Evaluation And Computational Studies
  作者:Zou,Yi; Wang,Fang; Wang,Yan; Sun,Qirui; Hu,Yue; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2017 卷标:140 页码:293-304]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 0 °C; 10 Min,0 °C1.2 16 H,Rt
  标题:Preparation Of Cyclohexyl-Ethyl Substituted Diaza- And Triaza-Tricyclic Compounds As Indole-Amine-2,3-Dioxygenase (Ido) Antagonists For The Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  288-32-4 + 76-83-5 = 96797-15-8
  反应条件:1.1 Reagents: Sodium Hydroxide,Potassium Triiodide Solvents: Water1.2 Reagents: Sodium Sulfite Solvents: 1-Butanol; 36 H,Rt1.3 Reagents: Triethylamine Solvents: Dimethylformamide
  标题:Azido And Desamino Analogs Of The Marine Natural Product Oroidin
  作者:Anders,Lisa; Lindel,Thomas
  参考文献:Zeitschrift Fuer Naturforschung 日期:2023 卷标:78(3-4) 页码:181-187]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 0 °C; 14 H,Rt1.2 Solvents: Water; 20 Min,Rt
  标题:Preparation Of Nitrogen-Containing Heteroaryl Compounds As Autotaxin Inhibitors
  参考文献:World Intellectual Property Organization]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 1.5 H,Reflux; Cooled
  标题:4-Benzyl-1H-Imidazoles With Oxazoline Termini As Histamine H3 Receptor Agonists
  作者:Wijtmans,Maikel; Celanire,Sylvain; Snip,Erwin; Gillard,Michel R.; Gelens,Edith; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2008 卷标:51(10) 页码:2944-2953]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; Rt; 24 H,Rt
  标题:Imidazoisoindole Compound As Ido1 Inhibitor,And Preparing Method And Application Thereof
  参考文献:China]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Cooled; 17 H,25 °C
  标题:Preparation Of Aralkyl-Imidazoles As Aldosterone Synthase Inhibitors
  参考文献:Japan]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Cooled; 17 H,25 °C
  标题:Preparation Of Radioactive Halogen-Labeled 1-Benzyl-1H-Imidazole Compounds As Diagnostic Imaging Agents
  参考文献:Japan]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Cooled; 17 H,25 °C
  标题:Preparation Of Substituted 1-Benzyl-1H-Imidazole Derivatives As Aldosterone Synthase Inhibitors
  参考文献:Japan]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 48 H,Rt
  标题:Preparation Of Macrolide Pyridyl Substituted Erythromycin Ketolide Analogs As Antibiotics
  参考文献:World Intellectual Property Organization]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Solvents: Dimethylformamide; 24 H,Rt
  标题:Preparation Of C12 Modified Erythromycin Macrolides And Ketolides Having Antibacterial Activity
  参考文献:World Intellectual Property Organization]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylacetamide; Rt -> 0 °C; 0 °C; 0 °C -> Rt; 48 H,Rt1.2 Reagents: Water
  标题:Preparation Of Heteroarylmorpholinyltriazine Derivatives For Use As Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 48 H,Rt
  标题:Preparation Of Fused Imidazole Compounds As Indoleamine 2,3-Dioxygenase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Tetrahydrofuran; Rt; 1 H,70 °C
  标题:Preparation Of Imidazo-Pyrrolo-Pyridinyl Derivatives As Ido And Tdo Inhibitors For The Treatment Of Ido - And Tdo - Mediated Diseases
  参考文献:United Kingdom]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 3 H,70 °C
  标题:6,7-Heterocyclic Fused 5H-Pyrrolo[1,2-C]Imidazole Derivatives And Their Use As Indoleamine 2,3-Dioxygenase (Ido) And/or Tryptophan 2,3-Dioxygenase (Td02) Modulators
  参考文献:World Intellectual Property Organization]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Dimethylformamide; 20 °C
  标题:Design And Synthesis Of Indoleamine 2,3- Dioxygenase 1 Inhibitors And Evaluation Of Their Use As Anti-Tumor Agents
  作者:Wen,Hui; Liu,Yuke; Wang,Shufang; Wang,Ting; Zhang,Gang; Et Al
  参考文献:Molecules 日期:2019 卷标:24(11)]
  
  76-83-5 + 71759-89-2 = 96797-15-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; Overnight,Rt -> 80 °C
  标题:Imidazole-Containing Fused Tricyclic Compounds As Ido1 Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Cancer
  参考文献:China

海关参考信息

• 2902300000-甲苯
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