CAS: 95-23-8; 5-Amino-1,3-Dihydro-2H-Benzimidazol-2-One

• 英文名称5-Amino-1,3-Dihydro-2H-Benzimidazol-2-One
• 中文名称5-氨基-1,3-二氢苯并咪唑-2-酮
• IUPAC名称5-amino-1,3-dihydro-2H-benzo[d]imidazol-2-one
• 其它别名5-氨基-2-苯并咪唑啉酮; 5-Amino-Benzimidazolone
• CAS编号95-23-8
• MFCD编号:MFCD00053555
• EINECS号:202-401-8
• FDA UNII编号:3V3FDT3X0M
• 分子式:C7H7N3O
• 分子量:149.15
• 产品CID: 2005338
• 产品分类有机原料→分子砌块→芳杂环类化合物→苯并咪唑类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BCXSVFBDMPSKPT-UHFFFAOYSA-N
• InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)…
• 计算化学: 氢键受体数2.0氢键供体数3可旋转键数0

相似化合物

物理性质

• 熔点>300 °C
• 沸点201.4°C at 760 mmHg
• 闪点75.6±21.5 °C
• 密度1.4±0.1 g/cm3
• pKa:11.80±0.30(预测)
• PSA:74.67
• LogP:0.4384
• 折射率1.658
• 蒸汽压0.3±0.4 mmHg at 25°C
• 外观形态白色至琥珀色至深绿色粉末
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C
• 产品应用该化合物用作染料中间体.
• 性质描述外观浅棕色粉末含量≥99(HPLC)水份≤1.0熔点 239-244°C

MSDS等安全信息

• GHS符号GHS07
• 危险类别水生慢性毒性 类别3
  急性毒性 类别4(经口)
  严重眼刺激 类别2A
  严重眼刺激 类别2
  皮肤腐蚀/刺激 类别2
• 警示词Warning
• 危险描述H412 |对水生生物有害并具有长期持续影响.
  H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H315 |造成皮肤刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• 危险品标志Xi,Xn
• 安全声明26-36/37/39
• 危险类别码36/37/38-36-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Catalysts: Palladium Solvents: Water; Ph 9; 0.3 Mpa,95 °C; 0.4 Mpa,95 °C; 2 H,0.9 Mpa,120 °C
  标题:Method For Preparing 5-Aminobenzimidazolone Having High Purity By Catalytic Hydrogenation Of 5-Nitrobenzimidazolone
  参考文献:China]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Aluminum,Iron,Nickel,Chromium Solvents: Water; 1.5 H,85 - 90 °C; 1 H,90 °C -> 95 °C1.2 Reagents: Hydrogen Solvents: Ethanol; Rt -> 95 °C; 13 H,2 Mpa,95 °C
  标题:Process For Preparation Of 5-Aminobenzimidazolone From Reduction Of 5-Nitrobenzimidazolone
  参考文献:China]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Sodium Hydroxide,Potassium Borohydride (Non-Crystalline State Nickel-Boron Catalyst) Catalysts: Nickel Acetate Tetrahydrate (Non-Crystalline State Nickel-Boron Catalyst) Solvents: Water; Ph 11,70 °C; 3 H,70 °C; 3.5 H,70 °C1.2 Reagents: Hydrogen Solvents: Ethanol; 8 H,1.6 Mpa,110 °C
  标题:Method For Preparing 5-Amino-2-Benzimidazolinone Derivative By Use Of Non-Crystalline State Nickel-Boron Catalyst
  参考文献:China]
  
  26576-46-5 = 95-23-8
  反应条件:1.1 Reagents: Diketene Catalysts: Dabco; Rt
  标题:Acetoacetylation Of Alcohols,Thiols And Amines In A Microreactor Using Diketene
  参考文献:World Intellectual Property Organization]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Iron,Hydrochloric Acid Solvents: Water; Rt -> 90 °C; 1 H,100 °C1.2 Reagents: Sodium Hydroxide Catalysts: Sodium Bisulfite; Ph 9
  标题:Treatment Method Of 5-Nitrobenzimidazolone Mother Liquid Through Iron Powder Reduction
  参考文献:China]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 3 H,35 Psi,Rt
  标题:Preparation Of Isoindoline Compounds For The Treatment Of Spinal Muscular Atrophy And Other Uses
  参考文献:World Intellectual Property Organization]
  
  = 95-23-8
  反应条件:1.1 Reagents: Hydrochloric Acid
  标题:Relation Of N-Alkoxybenzimidazoles To Nucleophilic Reagents. Attempts To Synthesize N-Hydroxy-2-Aminobenzimidazoles
  作者:Medvedeva,M. M.; Pozharskii,A. F.; Kuz'Menko,V. V.; Bessonov,V. V.; Tertov,B. A.
  参考文献:Khimiya Geterotsiklicheskikh Soedinenii 日期:1979 卷标:(2) 页码:200-6]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Oxide (Pdo) Solvents: Ethanol; 4 H,1.5 Mpa,100 °C
  标题:Synthesis Method Of 5-Amino-2-Benzimidazolinone (5-Abi) As Pigment Intermediate By Catalytic Hydrogenation Reduction
  参考文献:China]
  
  2679921-68-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 4 H,2 Mpa,85 °C
  标题:Synthetic Method For Preparing 5-Aminobenzimidazolone
  参考文献:China]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 2 Min,3 Psi,Rt; 24 H,Rt
  标题:Oxidative Cyclization-Induced Activation Of A Phosphoinositide 3-Kinase Inhibitor For Enhanced Selectivity Of Cancer Chemotherapeutics
  作者:Zhu,Haizhou; Mishra,Rosalin; Yuan,Long; Abdul Salam,Safnas F.; Liu,Jing; Et Al
  参考文献:Chemmedchem 日期:2019 卷标:14(22) 页码:1933-1939]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 5 H,1 Mpa,Rt -> 95 °C
  标题:Process For Preparation Of Pigment Intermediate 5-Aminobenzimidazolone
  参考文献:China]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Methanol; 1 - 2 Mpa,Rt -> 70 °C; 2 H,1 - 2 Mpa,60 - 70 °C
  标题:Preparation Of 5-Amino-2-Benzimidazolinone Via Catalytic Hydrogenation Of 5-Nitro-2-Benzimidazolinone
  参考文献:China]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Solvents: Ethanol; Reflux
  标题:Synthesis Of 5-Acetyiacetamidobenzimidazolone
  作者:Zhang,Zhenyu; Zhang,Jing; Shen,Haijiao; Ma,Jianyu; Qu,Hongmei
  参考文献:Huaxue Gongye Yu Gongcheng (Tianjin 日期:2014 卷标:31(1) 页码:24-27]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: 1,10-Phenanthroline,Ferrous Acetate Solvents: Tetrahydrofuran,Water; 17 H,50 Bar,120 °C
  标题:Nanoscale Fe2O3-Based Catalysts For Selective Hydrogenation Of Nitroarenes To Anilines
  作者:Jagadeesh,Rajenahally V.; Surkus,Annette-Enrica; Junge,Henrik; Pohl,Marga-Martina; Radnik,Joerg; Et Al
  参考文献:Science (Washington 日期:2013 卷标:342(6162) 页码:1073-1076]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Ethanol; 8 - 15 H,2 - 3 Mpa,90 - 95 °C
  标题:Synthesis Of 5-Aminobenzimidazolone-2 From 5-Nitrobenzimidazolone-2 With Catalyst Raney Ni
  作者:Tan,Chuanjiang; Feng,Yaqing; Gao,Pei
  参考文献:Jingxi Huagong 日期:2007 卷标:24(8) 页码:829-832]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol,Ethyl Acetate; 6 H,Rt
  标题:Preparation Of 2,4-Diaminopyrimidine Derivatives As Protein Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol,Ethyl Acetate; 6 H,Rt
  标题:(Adamantanylamino)Pyrimidinamine Derivatives As Protein Kinase Inhibitors And Their Preparation And Use For The Treatment Of Diseases
  参考文献:India]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Ammonium Vanadium Oxide ((Nh4)Vo3) Catalysts: Palladium,Titania Solvents: Methanol1.2 Reagents: Hydrogen
  标题:Preparation Of Sparingly Soluble Aromatic Amines
  参考文献:World Intellectual Property Organization]
  
  98185-13-8 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 3 H,450 Pa,70 °C
  标题:Synthesis,Characterisation,And Study Of The Photophysical Properties Of Highly Stable Imidazole-Based Novel Solid-State Fluorescent Azo Colourants
  作者:Moolya,Preetam N.; Gadilohar,Balu L.; Shankarling,Ganapati S.
  参考文献:Coloration Technology 日期:2015 卷标:131(2) 页码:104-109]
  
  93-84-5 = 95-23-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 1 H,Rt
  标题:Preparation Of Hydrazone Compound Having (Hetero)Aryl Group At Terminal Amine Group For Treating Tau Protein-Associated Disease
  参考文献:Korea

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