CAS: 936-49-2; 2-Phenyl-4,5-Dihydro-1H-Imidazole

• 英文名称2-Phenyl-4,5-Dihydro-1H-Imidazole
• 中文名称2-苯基咪唑啉
• IUPAC名称2-phenyl-4,5-dihydro-1H-imidazole
• 其它别名2-苯基-4,5-二氢化咪唑; 2-Imidazoline, 2-Phenyl- (6Ci,7Ci,8Ci); 2-Phenyl-2-Imidazoline; Phenylimidazoline
• CAS编号936-49-2
• MFCD编号:MFCD00005180
• EINECS号:213-313-4
• FDA UNII编号:E78R99DCH8
• 分子式:C9H10N2
• 分子量:146.19
• 产品CID: 1976276
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BKCCAYLNRIRKDJ-UHFFFAOYSA-N
• InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点99-104 °C
• 沸点298 °C at 760 mmHg
• 闪点104.0±22.6 °C
• 密度1.1±0.1 g/cm3
• pKa:9.95±0.40(预测)
• PSA:24.39
• LogP:1.0364
• 折射率1.611
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Soluble
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态浅棕色粉末
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用用作药物原料或用于有机合成.
• 性质描述白色结晶.熔点141-149°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05 & GHS09;
  注释: Exclamation mark & Corrosion & Environment
• 危险类别急性毒性 类别4(经口)
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  水生慢性毒性 类别1
  水生慢性毒性 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  水生急性毒性 类别1
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H411 |对水生生物有毒并具有长期持续影响.
  H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
  H400 |对水生生物毒性极大.
• 防范说明P264-P270-P273-P280-P302+P352-P330-P362+P364-P391-P501
• 危险等级9
• UN编号3077.0
• 危险品标志C,Xi,N,Xn
• 包装等级Ⅲ
• 安全声明26-36/37/39-45-37/39-61-60-39
• 危险类别码22-34-36/37/38-50/53-41-38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Tert-Butanol; 30 Min,Rt1.2 Reagents: Tert-Butyl Hypochlorite; 2 H,50 °C1.3 Reagents: Sodium Sulfite Solvents: Water
  标题:Facile Preparation Of 2-Imidazolines From Aldehydes With Tert-Butyl Hypochlorite
  作者:Ishihara,Midori; Togo,Hideo
  参考文献:Synthesis 日期:2007 卷标:(13) 页码:1939-1942]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Tert-Butanol; 30 Min,Rt1.2 Reagents: Potassium Carbonate,Iodine; 3 H,70 °C1.3 Reagents: Sodium Sulfite Solvents: Water
  标题:An Efficient Preparation Of 2-Imidazolines And Imidazoles From Aldehydes With Molecular Iodine And (Diacetoxyiodo)Benzene
  作者:Ishihara,Midori; Togo,Hideo
  参考文献:Synlett 日期:2006 卷标:(2) 页码:227-230]
  
  = 936-49-2
  反应条件:1.1 Catalysts: Hydrogen Sulfide
  标题:Preparation Of Cyclic Amidines
  参考文献:Germany]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Ethanol; 1 H,Reflux; Cooled1.2 Reagents: Iodine; 2 H,Reflux; Reflux -> Rt1.3 Reagents: Sodium Thiosulfate Solvents: Water; Rt
  标题:Metal-Free One-Pot Synthesis Of 1,3-Diazaheterocyclic Compounds Via I2-Mediated Oxidative C-N Bond Formation
  作者:Tian,Xianhai; Song,Lina; Li,Ertong; Wang,Qiang; Yu,Wenquan; Et Al
  参考文献:Rsc Advances 日期:2015 卷标:5(76) 页码:62194-62201]
  
  100-52-7 = 936-49-2
  反应条件:1.1 10 Min,80 °C
  标题:Synthesis Of Benzimidazole And Quinoxaline Derivatives Using Reusable Sulfonated Rice Husk Ash (Rha-So3H) As A Green And Efficient Solid Acid Catalyst
  作者:Shamsi-Sani,Mahnaz; Shirini,Farhad; Abedini,Masoumeh; Seddighi,Mohadeseh
  参考文献:Research On Chemical Intermediates 日期:2016 卷标:42(2) 页码:1091-1099]
  
  13758-35-5 = 936-49-2
  反应条件:1.1 Solvents: Acetonitrile
  标题:Carbon-Transfer Reactions Of δ2-Oxazolinium And -Thiazolinium Cations
  作者:Singh,Harjit; Sarin,Rakesh
  参考文献:Tetrahedron 日期:1986 卷标:42(5) 页码:1449-60]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Catalysts: Ferric Phosphate Solvents: Water; 7 H,Reflux
  标题:Solvent-Free And Water-Mediated Synthesis Of 2-Substituted Imidazolines Using Iron(Iii) Phosphate
  作者:Behbahani,Farahnaz K.; Daloee,Toktam Sheibani; Ziaei,Parisa
  参考文献:Current Organic Chemistry 日期:2013 卷标:17(3) 页码:296-303]
  
  591-50-4 + 7188-38-7 = 936-49-2
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: 1,3-Bis(Diphenylphosphino)Propane,Palladium Chloride Solvents: Toluene; 16 H,Reflux
  标题:Palladium-Catalyzed Multicomponent Synthesis Of 2-Aryl-2-Imidazolines From Aryl Halides And Diamines
  作者:Geden,Joanna V.; Pancholi,Alpa K.; Shipman,Michael
  参考文献:Journal Of Organic Chemistry 日期:2013 卷标:78(8) 页码:4158-4164]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Tert-Butanol; 30 Min,Rt1.2 Reagents: Potassium Carbonate,Iodine; 3 H,70 °C1.3 Reagents: Sodium Sulfite Solvents: Water
  标题:Direct Oxidative Conversion Of Aldehydes And Alcohols To 2-Imidazolines And 2-Oxazolines Using Molecular Iodine
  作者:Ishihara,Midori; Togo,Hideo
  参考文献:Tetrahedron 日期:2007 卷标:63(6) 页码:1474-1480]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Dichloromethane; 30 Min,0 °C1.2 Reagents: N-Bromosuccinimide; Overnight,Rt1.3 Reagents: Sodium Dithionite Solvents: Water
  标题:One-Pot Synthesis Of Imidazolines From Aldehydes: Detailed Study About Solvents And Substrates
  作者:Fujioka,Hiromichi; Murai,Kenichi; Kubo,Ozora; Ohba,Yusuke; Kita,Yasuyuki
  参考文献:Tetrahedron 日期:2007 卷标:63(3) 页码:638-643]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Dichloromethane; 0 °C -> Rt
  标题:A Mild And Efficient One-Pot Synthesis Of 2-Dihydroimidazoles From Aldehydes
  作者:Fujioka,Hiromichi; Murai,Kenichi; Ohba,Yusuke; Hiramatsu,Atsushi; Kita,Yasuyuki
  参考文献:Tetrahedron Letters 日期:2005 卷标:46(13) 页码:2197-2199]
  
  = 936-49-2
  反应条件:1.1 Catalysts: Sulfur; 2.5 Min,Rt
  标题:Microwave-Assisted Facile And Convenient Synthesis Of Imidazolines
  作者:Mohammadpoor-Baltork,I.; Abdollahi-Alibeik,M.
  参考文献:Bulletin Of The Korean Chemical Society 日期:2003 卷标:24(9) 页码:1354-1356]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Catalysts: N-Bromosaccharin Solvents: Dichloromethane; 20 Min,Rt1.2 Reagents: Sodium Hydroxide,Sodium Pyrosulfite Solvents: Water; Rt
  标题:Green And Rapid And Instrumental One-Pot Method For The Synthesis Of Imidazolines Having Potential Anti-Sars-Cov-2 Main Protease Activity
  作者:Azimi,Sabikeh; Merza,Muna S.; Ghasemi,Fatemeh; Dhahi,Hasan Ali; Baradarbarjastehbaf,Farid; Et Al
  参考文献:Sustainable Chemistry And Pharmacy 日期:2023 卷标:34]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Dichloromethane; 2 H,0 °C1.2 Reagents: N-Bromosuccinimide; 0 °C; Overnight,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 8
  标题:Synthesis Of Novel C-2 Substituted Imidazoline Derivatives Having The Norbornene/dibenzobarrelene Skeletons
  作者:Capan,Irfan; Servi,Suleyman
  参考文献:Arkivoc (Gainesville 日期:2018 卷标:(7) 页码:131-142]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Tert-Butanol; 20 Min,Rt1.2 Reagents: Sulfuric Acid Magnesium Salt (1:1),Hydrogen Peroxide Catalysts: Sodium Iodide Solvents: Water; 80 °C1.3 Reagents: Sodium Dithionite Solvents: Water; Rt
  标题:A Facile And Efficient Synthesis Of 2-Imidazolines From Aldehydes Using Hydrogen Peroxide And Substoichiometric Sodium Iodide
  作者:Bai,Guo-Yi; Xu,Kai; Chen,Guo-Feng; Yang,Yong-Hui; Li,Tian-Yu
  参考文献:Synthesis 日期:2011 卷标:(10) 页码:1599-1603]
  
  100-52-7 = 936-49-2
  反应条件:1.1 Solvents: Water; 30 Min,Rt1.2 Reagents: Hydrogen Peroxide Catalysts: 12-Tungstophosphoric Acid,Tetrabutylammonium Bromide Solvents: Water; Rt -> 80 °C; 2 H,80 °C
  标题:Green Synthesis Of 2-Substituted Imidazolines Using Hydrogen Peroxide Catalyzed By Tungstophosphoric Acid And Tetrabutylammonium Bromide In Water
  作者:Liu,Shuai; Li,Wang; Pang,Yiying; Xiao,Hesheng; Zhou,Yi; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:2019 卷标:56(3) 页码:998-1002]
  
  = 936-49-2
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: Ethylene Glycol; 2 H,Reflux; 20 Mm Hg,175 - 180 °C
  标题:Synthesis And Acaricidal Activity Of 1-Arylmethyl-2-Arylimidazolidines
  作者:Kagabu,Shinzo; Sakou,Misa; Iwaya,Kazuko; Kiriyama,Kazuhisa
  参考文献:Nippon Noyaku Gakkaishi 日期:2001 卷标:26(4) 页码:393-398]
  
  = 936-49-2
  反应条件:1.1 Reagents: Sodium Acetate Catalysts: Iodine,(Sp-4-2)-[(αr)-α-(Hydroxy-Ko)Benzeneacetato-Ko][(αs)-α-(Hydroxy-Ko)Benzeneacetat... Solvents: Toluene; 20 Min,90 °C
  标题:Microwave-Assisted Cascade Cycloaddition For C-N Bond Formation: An Approach To The Construction Of 1,4,5,6-Tetrahydropyrimidine And 2-Imidazoline Derivatives
  作者:An,Shujuan; Yin,Bing; Liu,Ping; Li,Xiangnan; Li,Chen; Et Al
  参考文献:Synthesis 日期:2013 卷标:45(18) 页码:2525-2532]
  
  = 936-49-2
  反应条件:1.1 Catalysts: Phosphorus Sulfide (P2S5); 5.5 Min,Heated; Cooled; Rt
  标题:Rapid And Efficient Synthesis Of Imidazolines And Bisimidazolines Under Microwave And Ultrasonic Irradiation
  作者:Moghadam,Majid; Mohammadpoor-Baltork,Iraj; Mirkhani,Valiollah; Tangestaninejad,Shahram; Abdollahi-Alibeik,Mohammad; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:2007 卷标:138(6) 页码:579-583]
  
  96-45-7 + 98-80-6 = 936-49-2
  反应条件:1.1 Reagents: (2-Thiophenecarboxylato-Ko2,Ks1)Copper Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; Rt; 2 H,100 °C
  标题:Palladium(0)-Catalyzed,Copper(I)-Mediated Coupling Of Boronic Acids With Cyclic Thioamides. Selective Carbon-Carbon Bond Formation For The Functionalization Of Heterocycles
  作者:Prokopcova,Hana; Kappe,C. Oliver
  参考文献:Journal Of Organic Chemistry 日期:2007 卷标:72(12) 页码:4440-4448

海关参考信息

• 2902300000-甲苯
  2921211000-乙二胺
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• 详情请参考：📖 海关编码查询和海关进出口税则

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