CAS: 912347-94-5; 1-(2-Amino-4-Methoxy-3-Methylphenyl)Ethanone

• 英文名称1-(2-Amino-4-Methoxy-3-Methylphenyl)Ethanone
• 中文名称2-甲基-3-氨基-4-乙酰基苯甲醚
• IUPAC名称1-(2-amino-4-methoxy-3-methylphenyl)ethan-1-one
• 其它别名2-氨基-3-甲基-4-甲氧基苯乙酮; Ethanone, 1-(2-Amino-4-Methoxy-3-Methylphenyl)-
• CAS编号912347-94-5
• MFCD编号:MFCD11042290
• EINECS号:833-546-0
• 分子式:C10H13NO2
• 分子量:179.22
• 产品CID: 1947174
• 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
• InChIKey: VXBGCEDOGYNWHE-UHFFFAOYSA-N
• InChI=1S/C10H13NO2/c1-6-9(13-3)5-4-8(7(2)12)10(6)11/h4-5H,11H2,1-3H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点107 °C
• 沸点336°C at 760 mmHg
• 闪点171.1±22.8 °C
• 密度1.1±0.1 g/cm3
• pKa:1.74±0.10(预测)
• PSA:52.32
• LogP:1.78842
• 折射率1.549
• 蒸汽压0.0±0.7 mmHg at 25°C
• 外观形态白色至黄色至橙色粉末至晶体
• 储存条件请置于阴暗处, 惰性气氛中,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述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
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 19500-02-8 = 912347-94-5
  反应条件:1.1 Reagents: Boron Trichloride Solvents: Dichloromethane,P-Xylene; 30 Min,0 °C1.2 30 Min,0 °C1.3 Reagents: Aluminum Chloride Solvents: Dichloromethane; 0 °C; 45 Min,0 °C; 0 °C -> 70 °C; 18 H,70 °C; 70 °C -> Rt1.4 Reagents: Water; Rt; Rt -> 70 °C; 1 H,70 °C
  标题:Discovery Of Novel Urea-Based Hepatitis C Protease Inhibitors With High Potency Against Protease-Inhibitor-Resistant Mutants
  作者:Kazmierski,Wieslaw M.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(7) 页码:3021-3026]
  
  164082-77-3 = 912347-94-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 20 °C2.1 Catalysts: Boron Trichloride Solvents: Xylene; 0 °C2.2 Catalysts: Aluminum Chloride Solvents: Dichloromethane; 0 °C -> 70 °C
  标题:Discovery Of Novel Potent And Selective Dipeptide Hepatitis C Virus Ns3/4A Serine Protease Inhibitors
  作者:Raboisson,Pierre; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(18) 页码:5095-5100]
  
  5460-31-1 = 912347-94-5
  反应条件:1.1 Reagents: Sodium Hydride Catalysts: Tetrabutylammonium Bromide Solvents: Water; 0.5 H,Rt1.2 2 H,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; 0.5 H,Rt2.1 Reagents: Aluminum Chloride Solvents: 1,2-Dichloroethane; 0.5 H,Cooled2.2 8 H,Cooled3.1 Reagents: Iron,Ammonium Chloride Solvents: Ethanol; 0.5 H,Reflux
  标题:Synthesis Of 2-(4-Isopropylthiazol-2-Yl)-7-Methoxy-8-Methylquinolin-4-Ol
  作者:An,Chenhong; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(10) 页码:1069-1072]
  
  55289-06-0 = 912347-94-5
  反应条件:1.1 Reagents: Triethylamine,Diphenylphosphoryl Azide Solvents: Toluene; 100 °C1.2 Solvents: Toluene; 100 °C2.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 20 °C3.1 Reagents: Boron Trichloride Solvents: Xylene; 0 °C3.2 Reagents: Aluminum Chloride Solvents: Dichloromethane; 0 - 70 °C
  标题:Structure-Activity Relationship Study On A Novel Series Of Cyclopentane-Containing Macrocyclic Inhibitors Of The Hepatitis C Virus Ns3/4A Protease Leading To The Discovery Of Tmc435350
  作者:Raboisson,Pierre; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(17) 页码:4853-4858]
  
  1640962-73-7 = 912347-94-5
  反应条件:1.1 Reagents: Iron,Ammonium Chloride Solvents: Ethanol; 0.5 H,Reflux
  标题:Synthesis Of 2-(4-Isopropylthiazol-2-Yl)-7-Methoxy-8-Methylquinolin-4-Ol
  作者:An,Chenhong; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(10) 页码:1069-1072]
  
  19500-02-8 = 912347-94-5
  反应条件:1.1 Catalysts: Boron Trichloride Solvents: Xylene; 0 °C1.2 Catalysts: Aluminum Chloride Solvents: Dichloromethane; 0 °C -> 70 °C
  标题:Discovery Of Novel Potent And Selective Dipeptide Hepatitis C Virus Ns3/4A Serine Protease Inhibitors
  作者:Raboisson,Pierre; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(18) 页码:5095-5100]
  
  19500-02-8 = 912347-94-5
  反应条件:1.1 Reagents: Boron Trichloride Solvents: Xylene; 0 °C1.2 Reagents: Aluminum Chloride Solvents: Dichloromethane; 0 - 70 °C
  标题:Structure-Activity Relationship Study On A Novel Series Of Cyclopentane-Containing Macrocyclic Inhibitors Of The Hepatitis C Virus Ns3/4A Protease Leading To The Discovery Of Tmc435350
  作者:Raboisson,Pierre; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(17) 页码:4853-4858]
  
  164082-77-3 = 912347-94-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 20 °C2.1 Reagents: Boron Trichloride Solvents: Xylene; 0 °C2.2 Reagents: Aluminum Chloride Solvents: Dichloromethane; 0 - 70 °C
  标题:Structure-Activity Relationship Study On A Novel Series Of Cyclopentane-Containing Macrocyclic Inhibitors Of The Hepatitis C Virus Ns3/4A Protease Leading To The Discovery Of Tmc435350
  作者:Raboisson,Pierre; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(17) 页码:4853-4858]
  
  4837-88-1 = 912347-94-5
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: 1,2-Dichloroethane; 0.5 H,Cooled1.2 8 H,Cooled2.1 Reagents: Iron,Ammonium Chloride Solvents: Ethanol; 0.5 H,Reflux
  标题:Synthesis Of 2-(4-Isopropylthiazol-2-Yl)-7-Methoxy-8-Methylquinolin-4-Ol
  作者:An,Chenhong; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2015 卷标:46(10) 页码:1069-1072]
  
  55289-06-0 = 912347-94-5
  反应条件:1.1 Reagents: Triethylamine,Diphenylphosphoryl Azide Solvents: Toluene; 100 °C1.2 Solvents: Toluene; 100 °C2.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 20 °C3.1 Catalysts: Boron Trichloride Solvents: Xylene; 0 °C3.2 Catalysts: Aluminum Chloride Solvents: Dichloromethane; 0 °C -> 70 °C
  标题:Discovery Of Novel Potent And Selective Dipeptide Hepatitis C Virus Ns3/4A Serine Protease Inhibitors
  作者:Raboisson,Pierre; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2008 卷标:18(18) 页码:5095-5100

海关参考信息

• 2902600000-乙苯
  2905110000-甲醇
  2912110000-甲醛
  2912120000-乙醛
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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