CAS: 84946-20-3; 2-Chloro-1-(4-Fluorobenzyl)-1H-Benzo[d]Imidazole

• 英文名称2-Chloro-1-(4-Fluorobenzyl)-1H-Benzo[d]Imidazole
• 中文名称2-氯-1-(4-氟苄基)苯并咪唑
• IUPAC名称2-chloro-1-(4-fluorobenzyl)-1H-benzo[d]imidazole
• 其它别名1-(4-氟卞基)2-氯-苯并咪唑(中间体1)
• CAS编号84946-20-3
• MFCD编号:MFCD00800240
• EINECS号:284-624-0
• FDA UNII编号:572KOO4QPT
• 分子式:C14H10ClFN2
• 分子量:260.7
• 产品CID: 1841054
• 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
• InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N
• InChI=1S/C14H10ClFN2/c15-14-17-12-3-1-2-4-13(12)18(14)9-10-5-7-11(16)8-6-10/h1-8H,9H2…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

相似化合物

物理性质

• 熔点83-87°C
• 沸点432.3°C at 760 mmHg
• 闪点215.2°C
• 密度1.3±0.1 g/cm3
• pKa:3.42±0.10(预测)
• PSA:17.82
• LogP:3.8771
• 折射率1.626
• 蒸汽压0.0±1.0 mmHg at 25°C
• 溶解性Soluble In Methanol
• 敏感性如果遵照规格使用和储存则不会分解，未有已知危险反应
• 外观形态白色至几乎白色粉末至晶体
• 储存条件惰性气氛,2-8°C
• 产品应用该化合物用作实验室研究与开发以及制药和化学制造过程.

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 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
• 安全声明22-24/25
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 4857-06-1 + 459-46-1 = 84946-20-3
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Acetonitrile; Rt -> 80 °C; 30 Min,80 °C; 80 °C -> Rt1.2 5 H,Reflux
  标题:Astemizole Derivatives As Fluorescent Probes For Herg Potassium Channel Imaging
  作者:Wang,Beilei; Liu,Zhenzhen; Ma,Zhao; Li,Minyong; Du,Lupei
  参考文献:Acs Medicinal Chemistry Letters 日期:2016 卷标:7(3) 页码:245-249]
  
  57-13-6 + 140-75-0 + 1493-27-2 = 84946-20-3
  反应条件:1.1 Reagents: Potassium Carbonate; 14 H,160 °C1.2 Reagents: Nickel Dichloride,Sodium Borohydride Solvents: Methanol; 0 °C; 0 °C -> Rt; 30 Min,Rt1.3 Solvents: Dimethylformamide; 5 H,160 °C1.4 Reagents: Phosphorus Oxychloride; 3 - 5 H,110 °C
  标题:Discovery Of Novel,Orally Available Benzimidazoles As Melanin Concentrating Hormone Receptor 1 (Mchr1) Antagonists
  作者:Sasmal,Pradip K.; Sasmal,Sanjita; Rao,P. Tirumala; Venkatesham,B.; Roshaiah,M.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(18) 页码:5443-5448]
  
  352-11-4 + 4857-06-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydroxide
  标题:Brain-Penetrating 2-Aminobenzimidazole H1-Antihistamines For The Treatment Of Insomnia
  作者:Coon,Timothy; Moree,Wilna J.; Li,Binfeng; Yu,Jinghua; Zamani-Kord,Said; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2009 卷标:19(15) 页码:4380-4384]
  
  4857-06-1 + 459-46-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Acetonitrile; 6 H,Reflux
  标题:Chloroquine-Astemizole Hybrids With Potent In Vitro And In Vivo Antiplasmodial Activity
  作者:Musonda,Chitalu C.; Whitlock,Gavin A.; Witty,Michael J.; Brun,Reto; Kaiser,Marcel
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2009 卷标:19(2) 页码:481-484]
  
  4857-06-1 + 459-46-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Acetonitrile; 30 Min,Reflux; Reflux -> Rt1.2 3 H,Reflux
  标题:Environment-Sensitive Fluorescent Probe For The Human Ether-A-Go-Go-Related Gene Potassium Channel
  作者:Liu,Zhenzhen; Jiang,Tianyu; Wang,Beilei; Ke,Bowen; Zhou,Yubin; Et Al
  参考文献:Analytical Chemistry (Washington 日期:2016 卷标:88(3) 页码:1511-1515]
  
  4857-06-1 + 459-46-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethyl Sulfoxide; 1 H,0 °C1.2 12 H,Rt
  标题:Design,Synthesis And Characterization Of Novel N-Heterocyclic-1-Benzyl-1H-Benzo[d]Imidazole-2-Amines As Selective Trpc5 Inhibitors Leading To The Identification Of The Selective Compound,Ac1903
  作者:Sharma,Swagat H.; Pablo,Juan Lorenzo; Montesinos,Monica Suarez; Greka,Anna; Hopkins,Corey R.
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2019 卷标:29(2) 页码:155-159]
  
  4857-06-1 + 459-46-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 18 H,60 °C
  标题:Discovery Of The First Nonpeptidic,Small-Molecule,Highly Selective Somatostatin Receptor Subtype 5 Antagonists: A Chemogenomics Approach
  作者:Martin,Rainer E.; Green,Luke G.; Guba,Wolfgang; Kratochwil,Nicole; Christ,Andreas
  参考文献:Journal Of Medicinal Chemistry 日期:2007 卷标:50(25) 页码:6291-6294]
  
  352-11-4 + 4857-06-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H,60 °C1.2 60 °C; 60 °C -> 80 °C; 6 H,80 °C; 80 °C -> Rt1.3 Reagents: Water; Cooled
  标题:New Synthesis For Mizolastine
  作者:Zhao,Yingjun
  参考文献:Huagong Shikan 日期:2010 卷标:24(10) 页码:35-36]
  
  352-11-4 + 4857-06-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H,0 °C1.2 Overnight,Rt1.3 Solvents: Water; 1 H,Rt
  标题:Synthesis And Cytotoxic Evaluation Of Pyrrole Hetarylazoles Containing Benzimidazole/pyrazolone/1,3,4-Oxadiazole Motifs
  作者:Mochona,Bereket; Jackson,Timothy; Mccauley,Decoria; Mazzio,Elizabeth; Redda,Kinfe K.
  参考文献:Journal Of Heterocyclic Chemistry 日期:2016 卷标:53(6) 页码:1871-1877]
  
  352-11-4 + 4857-06-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1 H,60 °C1.2 60 °C; 60 °C -> 80 °C; 6 H,80 °C; Cooled1.3 Reagents: Water; Cooled
  标题:Synthesis Of 4-[[1-[(4-Fluorophenyl)Methyl]-1H-Benzimidazol-2-Yl]Amino]-1-Piperidinecarboxylic Acid Ethyl Ester
  作者:Zhang,Hong; Pan,Jigang
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2006 卷标:16(4) 页码:244-245]
  
  4857-06-1 + 459-46-1 = 84946-20-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 2 H,60 °C1.2 Overnight,60 °C
  标题:Astemizole Analogues With Reduced Herg Inhibition As Potent Antimalarial Compounds
  作者:Tian,Junjun; Vandermosten,Leen; Peigneur,Steve; Moreels,Lien; Rozenski,Jef; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2017 卷标:25(24) 页码:6332-6344]
  
  352-11-4 + 4857-06-1 = 84946-20-3
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Acetone; 0.5 H,Rt1.2 4 - 6 H,Reflux1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 8
  标题:Synthesis And Evaluation Of The Anticonvulsant Activity Of 9-Alkyl-2,9-Dihydro-3H-1,2,4-Triazolo[4,3-A]Benzimidazole-3-One Derivatives
  作者:Li,Hui; Kang,Dong-Zhou; Wang,Shi-Ben; Gong,Guo-Hua; Quan,Zhe-Shan
  参考文献:Latin American Journal Of Pharmacy 日期:2015 卷标:34(1) 页码:5-12

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