CAS: 95218-34-1; Ethyl 2-(2,4-Dimethoxybenzylamino)Acetate

• 英文名称Ethyl 2-(2,4-Dimethoxybenzylamino)Acetate
• 中文名称2-(2,4-二甲氧基苄氨基)乙酸乙酯
• IUPAC名称ethyl (2,4-dimethoxybenzyl)glycinate
• 其它别名Ethyl 2-(2,4-Dimethoxybenzylamino)Acetate; [(2,4-Dimethoxybenzyl)Amino]Acetic Acid Ethyl Ester; N-(2,4-Dimethoxybenzyl)Glycine Ethyl Ester; Ethyl 2-{[(2,4-Dimethoxyphenyl)Methyl]Amino}Acetate; N-(2,4-Dimethoxybenzyl)Glycine Ethyl Ester Usp/ep/bp; Glycine, N-[(2,4-Dimethoxyphenyl)Methyl]-, Ethyl Ester
• CAS编号95218-34-1
• MFCD编号:MFCD11520938
• 分子式:C13H19NO4分子量:253.3
• 产品CID: 2005082
• 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: HIYLMYJDQWBPLH-UHFFFAOYSA-N
• InChI=1S/C13H19NO4/c1-4-18-13(15)9-14-8-10-5-6-11(16-2)7-12(10)17-3/h5-7,14H,4,8-9H2,1-3H3
• 计算化学: 氢键受体数5.0氢键供体数1可旋转键数7

相似化合物

物理性质

• 沸点353.8 °C at 760 mmHg
• 闪点167.8 °C
• 密度1.091
• pKa:6.41±0.20(预测)
• PSA:56.79
• LogP:1.3565
• 折射率1.501
• 蒸汽压3.5E-05 mmHg at 25 °C

MSDS等安全信息

上下游产品

合成工艺路线路线简述

• 623-33-6 + 613-45-6 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine,Sodium Triacetoxyborohydride Solvents: Dichloromethane; 17 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water
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  参考文献:Organic & Biomolecular Chemistry 日期:2014 卷标:12(6) 页码:913-918]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; Overnight,Rt
  标题:Preparation Of Benzodiazepine Derivatives For Use As Cognition Enhancers
  参考文献:United States]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 0 °C; 3 H,Rt
  标题:Deuterated Akt Kinase Inhibitor
  参考文献:World Intellectual Property Organization]
  
  623-33-6 + 613-45-6 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 5 Min,Rt1.2 Reagents: Acetic Acid,Sodium Triacetoxyborohydride; 24 H,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:A Highly Efficient Solid-Phase Synthesis Of 1,3-Substituted Xanthines
  作者:He,Rongjun; Lam,Yulin
  参考文献:Journal Of Combinatorial Chemistry 日期:2005 卷标:7(6) 页码:916-920]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; Overnight,Rt
  标题:Total Synthesis Of (-)-Tirandamycin C Utilizing A Desymmetrization Protocol
  作者:Yadav,J. S.; Dhara,Santu; Hossain,Sk. Samad; Mohapatra,Debendra K.
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(21) 页码:9628-9633]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; Overnight,Rt
  标题:One-Pot Synthesis Of 3-Aryltetramic Acids
  作者:Mallinger,Aurelie; Nadal,Brice; Chopin,Nicolas; Le Gall,Thierry
  参考文献:European Journal Of Organic Chemistry 日期:2010 卷标:(6) 页码:1142-1148]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; Overnight,Rt
  标题:Preparation Of Benzodiazepine Derivatives,Compositions,And Methods For Treating Cognitive Impairment And Brain
  参考文献:World Intellectual Property Organization]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 0 °C; 0 °C -> 25 °C; 24 H,25 °C
  标题:Preparation Of Benzodiazepine Derivatives,Compositions,And Methods For Treating Cognitive Impairment
  参考文献:World Intellectual Property Organization]
  
  623-33-6 + 613-45-6 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; 1 H,Rt1.2 Reagents: Sodium Triacetoxyborohydride; 18 H,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Design,Synthesis And Decoration Of Molecular Scaffolds For Exploitation In The Production Of Alkaloid-Like Libraries
  作者:Craven,Philip; Aimon,Anthony; Dow,Mark; Fleury-Bregeot,Nicolas; Guilleux,Rachel; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2015 卷标:23(11) 页码:2629-2635]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran
  标题:Discovery Of Clinical Candidate Ntq1062 As A Potent And Bioavailable Akt Inhibitor For The Treatment Of Human Tumors
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  参考文献:Journal Of Medicinal Chemistry 日期:2022 卷标:65(12) 页码:8144-8168]
  
  20781-20-8 + 105-36-2 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 0 °C; 3 H,Rt
  标题:Akt Inhibitor
  参考文献:World Intellectual Property Organization]
  
  623-33-6 + 613-45-6 = 95218-34-1
  反应条件:1.1 Reagents: Triethylamine Solvents: 1,2-Dichloroethane; 1 H,Rt1.2 Reagents: Sodium Triacetoxyborohydride; 3 D,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Preparation Of 1-Cyanoisoquinoline Derivatives As Hypoxia Inducible Factor Hydroxylase Inhibitors
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  103367-96-0 = 95218-34-1
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol
  标题:Synthetic Studies Directed Toward The Naturally Occurring Acyl Tetramic Acids. 1. Convergent Total Synthesis Of (+/-)-Tirandamycin A
  作者:Boeckman,Robert K. Jr.; Starrett,John E. Jr.; Nickell,David G.; Sum,P. E.
  参考文献:Journal Of The American Chemical Society 日期:1986 卷标:108(18) 页码:5549-59]
  
  = 95218-34-1 [标题:Reaction Conditions
  标题:Synthesis And Structure-Activity Relationships Of 3,5-Disubstituted 4,5-Dihydro-6H-Imidazo[1,5-A][1,4]Benzodiazepin-6-Ones At Diazepam-Sensitive And Diazepam-Insensitive Benzodiazepine Receptors
  作者:Ananthan,Subramaniam; Clayton,Sarah D.; Ealick,Steven E.; Wong,Garry; Evoniuk,Gary E.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1993 卷标:36(4) 页码:479-90

海关参考信息

• 2902300000-甲苯
  2907221000-对苯二酚
  2909110000-乙醚
  2912110000-甲醛
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