CAS: 85-91-6; Methyl N-Methylanthranilate

• 英文名称Methyl N-Methylanthranilate
• 中文名称邻甲氨基苯甲酸甲酯
• IUPAC名称methyl 2-(methylamino)benzoate
• 其它别名Methyl N-methylanthranilate
• CAS编号85-91-6
• MFCD编号:MFCD00017183
• EINECS号:201-642-6
• FDA UNII编号:5Z37T562P9
• 分子式:C9H11NO2
• 分子量:165.19
• 产品CID: 1858668
• 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: GVOWHGSUZUUUDR-UHFFFAOYSA-N
• InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3…
• 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17-19°C
• 沸点252.4±13.0°C at 760 mmHg
• 闪点106.5±19.8 °C
• 密度1.1±0.1 g/cm3
• PH:7-8 (H2O, 20°C)
• pKa:2.80±0.10(预测)
• PSA:38.33
• LogP:1.5149
• 折射率1.562
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Miscible In All Proportions With Ethanol 96%, DMSO And Diethyl Ether.
• 外观形态无色至黄色低于 18°C 为固体, 高于 18°C 为液体
• 储存条件2-8°C
• 产品应用该化合物用作该化合物用作有机合成的中间剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生慢性毒性 类别3
• 警示词Warning(警告)
• 危险描述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.
  H412 |对水生生物有害并具有长期持续影响.
• 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26-36-36/37/39-22
• 危险类别码36/37/38
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 134-20-3 = 85-91-6
  反应条件:1.1 Overnight,Rt
  标题:Synthesis And Bioactivity Evaluation Of Anthranilic Diamide Derivatives As Green Potential Insecticides
  作者:Liu,Zhiqiang; Et Al
  参考文献:Progress In Environmental Science And Technology 日期:2011 卷标:3 页码:105-108]
  
  91157-23-2 = 85-91-6 [标题:Reaction Conditions
  标题:Reactions Of Anthranilium Salts With Nucleophiles: Adduct Formation And Rearrangement
  作者:Vander Meer,Robert K.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1984 卷标:49(18) 页码:3373-7]
  
  2058-74-4 = 85-91-6
  反应条件:1.1 Reagents: Potassium Carbonate,Tetrabutylammonium Perchlorate Solvents: Methanol,Acetonitrile; 1 H,Rt
  标题:Tunable Electrosynthesis Of Anthranilic Acid Derivatives Via A C-C Bond Cleavage Of Isatins
  作者:Qian,Peng; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(22) 页码:16008-16015]
  
  = 85-91-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; Overnight,100 °C1.2 Reagents: Water
  标题:Chemo- And Diastereoselective Acylfluorination Of Nonactivated Olefins To Access Benzo[b]Azepines
  作者:Liu,Xingfeng; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(5) 页码:726-731]
  
  118-48-9 = 85-91-6
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Dimethylacetamide; 10 Min,Rt1.2 16 H,45 °C; 45 °C -> Rt1.3 Reagents: Water; 20 Min,Rt2.1 Catalysts: Sulfuric Acid Solvents: Methanol; 3 H,Reflux
  标题:Investigation Into The Stability And Reactivity Of The Pentacyclic Alkaloid Dehydroevodiamine And The Benz-Analog Thereof
  作者:Wehle,Sarah; Et Al
  参考文献:Tetrahedron 日期:2016 卷标:72(20) 页码:2535-2543]
  
  = 85-91-6
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; Overnight,Reflux2.1 Reagents: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; Overnight,Rt3.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 6 H,Rt4.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 2 H,Rt
  标题:Scaffold Hopping Of Natural Product Evodiamine: Discovery Of A Novel Antitumor Scaffold With Excellent Potency Against Colon Cancer
  作者:Wang,Lei; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2020 卷标:63(2) 页码:696-713]
  
  1153856-14-4 = 85-91-6
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 2 H,Rt
  标题:Scaffold Hopping Of Natural Product Evodiamine: Discovery Of A Novel Antitumor Scaffold With Excellent Potency Against Colon Cancer
  作者:Wang,Lei; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2020 卷标:63(2) 页码:696-713]
  
  10328-92-4 = 85-91-6
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol; 3 H,Reflux
  标题:Investigation Into The Stability And Reactivity Of The Pentacyclic Alkaloid Dehydroevodiamine And The Benz-Analog Thereof
  作者:Wehle,Sarah; Et Al
  参考文献:Tetrahedron 日期:2016 卷标:72(20) 页码:2535-2543]
  
  119-68-6 = 85-91-6
  反应条件:1.1 Catalysts: Sulfuric Acid; 2 H,Reflux1.2 Reagents: Ammonia Solvents: Water; Neutralized
  标题:Anthranilic Acid-Based Inhibitors Of Phosphodiesterase: Design,Synthesis,And Bioactive Evaluation
  作者:Cheng,Yih-Dih; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2011 卷标:9(20) 页码:7113-7125]
  
  13061-96-6 + 134-20-3 = 85-91-6
  反应条件:1.1 Reagents: Pyridine,Cupric Acetate Solvents: 1,4-Dioxane; 15 Min,Rt1.2 Rt; 4.5 H,Reflux
  标题:Selective Monomethylation Of Anilines By Cu(Oac)2-Promoted Cross-Coupling With Meb(Oh)2
  作者:Gonzalez,Israel; Et Al
  参考文献:Organic Letters 日期:2009 卷标:11(8) 页码:1677-1680]
  
  134-20-3 = 85-91-6
  反应条件:1.1 Reagents: Acetic Acid,Zinc Solvents: 1,4-Dioxane,Water; 5 H,60 °C; 60 °C -> Rt1.2 Reagents: Ammonia Solvents: Water; Rt
  标题:The Effect Of Hydrogen Bond On Bronsted Acid-Catalyzed Intramolecular Hydroamination Of Unfunctionalized Olefins
  作者:Li,Ting-Ting; Et Al
  参考文献:Tetrahedron 日期:2015 卷标:71(38) 页码:7003-7009]
  
  134-20-3 = 85-91-6
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 12 H,23 °C1.2 Reagents: Sodium Borohydride; 2 - 12 H,60 °C
  标题:Photocatalytic Para-Selective C-H Functionalization Of Anilines With Diazomalonates
  作者:Karmakar,Ujjwal; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(33) 页码:6137-6141]
  
  = 85-91-6
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Cupric Acetate,Palladium Diacetate,Potassium Iodide Solvents: Dimethylformamide; 13 H,100 °C
  标题:Palladium-Catalyzed Oxidative Carbonylation Of Aromatic C-H Bonds Of N-Alkylanilines With Co And Alcohols For The Synthesis Of O-Aminobenzoates
  作者:Chen,Ming; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(2) 页码:1258-1263]
  
  134-20-3 = 85-91-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide; 10 Min,Rt1.2 Solvents: Dimethylformamide; 30 Min,Rt; 1 H,Rt; 7 H,50 °C; 50 °C -> Rt1.3 Reagents: Water
  标题:Design,Synthesis,And Evaluation Of Novel 1-Methyl-3-Substituted Quinazoline-2,4-Dione Derivatives As Antimicrobial Agents
  作者:Ji,Qing-Gang; Et Al
  参考文献:Medicinal Chemistry Research 日期:2014 卷标:23(5) 页码:2169-2177]
  
  17583-40-3 = 85-91-6
  反应条件:1.1 Reagents: Sulfuric Acid,Water; 24 H,90 °C; 90 °C -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 8,Rt
  标题:Rhodium(Iii)-Catalyzed Direct Cyanation Of Aromatic C-H Bond To Form 2-(Alkylamino)Benzonitriles Using N-Nitroso As Directing Group
  作者:Dong,Jiawei; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(24) 页码:12588-12593]
  
  118-48-9 + 39650-82-3 = 85-91-6 [标题:Reaction Conditions
  标题:Studies On Lactam Acetals. Part V. Use In N-,O- And S-Alkylations And Esterification
  作者:Singh,Jujhar; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1981 卷标:(7) 页码:596-7]
  
  119-68-6 = 85-91-6 [标题:Reaction Conditions
  标题:A Novel Oxamide Rearrangement
  作者:Peet,Norton P.; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1980 卷标:17(7) 页码:1513-18]
  
  134-20-3 = 85-91-6 [标题:Reaction Conditions
  标题:Beyond Conventional Routes,An Unprecedented Metal-Free Chemoselective Synthesis Of Anthranilate Esters Via A Multicomponent Reaction (Mcr) Strategy
  作者:Sarkar,Satavisha; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2015 卷标:51(63) 页码:12673-12676]
  
  76681-84-0 = 85-91-6 [标题:Reaction Conditions
  标题:A Novel Oxamide Rearrangement
  作者:Peet,Norton P.; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1980 卷标:17(7) 页码:1513-18]
  
  = 85-91-6
  反应条件:1.1 Reagents: Sulfuric Acid; Reflux2.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide; 50 °C
  标题:Chemoselectivity For Alkene Cleavage By Palladium-Catalyzed Intramolecular Diazo Group Transfer From Azide To Alkene
  作者:Frost,Grant B.; Et Al
  参考文献:Chemistry - A European Journal 日期:2019 卷标:25(7) 页码:1727-1732

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
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