CAS: 81167-39-7; Methyl 2-((Diphenylmethylene)Amino)Acetate

• 英文名称Methyl 2-((Diphenylmethylene)Amino)Acetate
• 中文名称二苯亚甲基甘氨酸甲酯
• IUPAC名称methyl 2-((diphenylmethylene)amino)acetate
• 其它别名N二苯基亚甲基甘氨酸甲酯
• CAS编号81167-39-7
• MFCD编号:MFCD06661218
• EINECS号:695-130-3
• 分子式:C16H15NO2
• 分子量:253.3
• 产品CID: 1805800
• 产品分类有机原料→生命科学→氨基酸及其衍生物→甘氨酸及其衍生物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: PQTOLHHWLUCKSB-UHFFFAOYSA-N
• InChI=1S/C16H15NO2/c1-19-15(18)12-17-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数4.0

相似化合物

物理性质

• 熔点42-44°C
• 沸点342.8±34.0 °C at 760 mmHg
• 闪点135.8±20.1 °C
• 密度1.1±0.1 g/cm3
• pKa:2.22±0.50(预测)
• PSA:38.66
• LogP:2.697
• 折射率1.546
• 蒸汽压0.0±0.8 mmHg at 25°C
• 外观形态白色至淡黄色固体
• 储存条件密封干燥,2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  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Xn

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 N-(Diphenylmethylene)Glycine Methyl Ester 主要起始原料 Benzophenone Imine And Methyl Bromoacetate
• 1013-88-3 = 81167-39-7
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: 2,6-Lutidine; 20 Min,120 °C
  标题:Microwave-Promoted Solvent-Free Synthesis Of N-(Diphenylmethylene)Glycine Alkyl Esters
  作者:Wang,Quan Jun; Et Al
  参考文献:Chinese Chemical Letters 日期:2009 卷标:20(12) 页码:1405-1407]
  
  5680-79-5 + 538-51-2 = 81167-39-7
  反应条件:1.1 Solvents: Dichloromethane; 20 H,Rt
  标题:Ion Pair-Directed C-H Activation On Flexible Ammonium Salts: Meta-Selective Borylation Of Quaternized Phenethylamines And Phenylpropylamines
  作者:Mihai,Madalina T.; Et Al
  参考文献:Acs Catalysis 日期:2018 卷标:8(5) 页码:3764-3769]
  
  119-61-9 + 5680-79-5 = 81167-39-7
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; Reflux1.2 Reagents: Diisopropylethylamine; 6 H,Reflux; 2 H,Reflux
  标题:4,5-Disubstituted N-Methylimidazoles As Versatile Building Blocks For Defined Side-Chain Introduction
  作者:Przybyla,Daniel; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2017 卷标:2017(3) 页码:695-703]
  
  56-40-6 = 81167-39-7
  反应条件:1.1 Reagents: Thionyl Chloride; 0 °C; Overnight,0 °C -> Reflux2.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; Reflux2.2 Reagents: Diisopropylethylamine; 6 H,Reflux; 2 H,Reflux
  标题:4,5-Disubstituted N-Methylimidazoles As Versatile Building Blocks For Defined Side-Chain Introduction
  作者:Przybyla,Daniel; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2017 卷标:2017(3) 页码:695-703]
  
  56-40-6 = 81167-39-7
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; 0 °C; 5 H,Reflux2.1 Solvents: Dichloromethane; 12 - 30 °C
  标题:Direct Amidation Of The Phenylalanine Moiety In Short Peptides Via Pd-Catalyzed C-H Activation/c-N Formation
  作者:Yang,Mingyu; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2015 卷标:2(1) 页码:51-54]
  
  56-40-6 = 81167-39-7
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; 0 °C -> Rt2.1 Solvents: Dichloromethane; Rt
  标题:Analogues Of Thiolactomycin As Potential Antimalarial Agents
  作者:Jones,Simon M.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(19) 页码:5932-5941]
  
  6000-43-7 = 81167-39-7
  反应条件:1.1 Reagents: Thionyl Chloride; Cooled; 30 Min,Rt; 3 H,Reflux2.1 Solvents: Toluene; 1 H,Rt -> Reflux2.2 Reagents: Diisopropylethylamine; 2.5 H,Reflux; 4 H,Reflux
  标题:Surface-Enhanced Raman Scattering Of Alkyne-Conjugated Mos2: A Comparative Study Between Metallic And Semiconductor Phases
  作者:Anbazhagan,Rajeshkumar; Et Al
  参考文献:Journal Of Materials Chemistry C: Materials For Optical And Electronic Devices 日期:2018 卷标:6(5) 页码:1071-1082]
  
  1013-88-3 + 5680-79-5 = 81167-39-7
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Rt; Rt
  标题:Synthesis Of β-Hydroxy α-Amino Acids Through Bronsted Base-Catalyzed Syn-Selective Direct Aldol Reaction Of Schiff Bases Of Glycine O-Nitroanilide
  作者:Vera,Silvia; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(11) 页码:7757-7772]
  
  1013-88-3 + 5680-79-5 = 81167-39-7
  反应条件:1.1 Solvents: Dichloromethane
  标题:The Development Of New Carboxylic Acid-Based Mmp Inhibitors Derived From A Cyclohexylglycine Scaffold
  作者:Tullis,Joshua S.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2001 卷标:11(15) 页码:1975-1979]
  
  1013-88-3 = 81167-39-7
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: 2,6-Lutidine; 20 Min,120 °C
  标题:Microwave-Promoted Solvent-Free Synthesis Of N-(Diphenylmethylene)Glycine Alkyl Esters
  作者:Wang,Quan Jun; Et Al
  参考文献:Chinese Chemical Letters 日期:2009 卷标:20(12) 页码:1405-1407]
  
  1013-88-3 + 616-34-2 = 81167-39-7
  反应条件:1.1 Solvents: Dichloromethane; Overnight,Rt
  标题:Sensing Living Bacteria In Vivo Using D-Alanine-Derived 11C Radiotracers
  作者:Parker,Matthew F. L.; Et Al
  参考文献:Acs Central Science 日期:2020 卷标:6(2) 页码:155-165]
  
  119-61-9 + 616-34-2 = 81167-39-7 [标题:Reaction Conditions
  标题:Solid-State And Solution Structures Of Glycinimine-Derived Lithium Enolates
  作者:Jin,Kyoung Joo; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2015 卷标:137(45) 页码:14446-14455

海关参考信息

• 2902300000-甲苯
  2912110000-甲醛
  2912120000-乙醛
  2915110000-甲酸
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