CAS: 89928-06-3; Methyl 3-Benzamidopropanoate

该化合物是一种有机化合物,其结构特征包括一个附于乙型亚麻尼氮的苯并基化合物,以及一个甲基酯功能组,该化合物一般是白色的,可溶于乙醇和乙酮等有机溶剂,但由于其对水的恐惧性苯并基混合物,其溶解性可能有限.

英文名称Methyl 3-Benzamidopropanoate
中文名称3-苯甲酰氨基丙酸甲酯
IUPAC名称methyl 3-benzamidopropanoate
其它别名N-苯甲酰基-Beta-丙氨酸甲酯; N-Benzoyl-Beta-Alanine Methyl Ester
CAS编号89928-06-3
MFCD编号:MFCD00157846
EINECS号:662-034-8
分子式:C11H13NO3分子量:207.23
产品CID: 1929308
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: RZZNKCALONWEAZ-UHFFFAOYSA-N
InChI=1S/C11H13NO3/c1-15-10(13)7-8-12-11(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数4.0

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)
警示词Warning(警告)
危险描述H302 |吞咽有害.
防范说明P264-P270-P330-P501

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

4138-35-6 + 98-88-4 = 89928-06-3
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 6 H,Rt
标题:Chemoselective Synthesis Of α-Amino-α-Cyanophosphonates By Reductive Gem-Cyanation-Phosphonylation Of Secondary Amides
作者:Chen,Ting-Ting; Wang,Ai-E.; Huang,Pei-Qiang
参考文献:Organic Letters 日期:2019 卷标:21(10) 页码:3808-3812]

3196-73-4 + 98-88-4 = 89928-06-3
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Rt -> 0 °C; 2 H,25 °C
标题:Synthesis Of Linear Enamides And Enecarbamates Via Photoredox Acceptorless Dehydrogenation
作者:Ritu; Kolb,Daniel; Jain,Nidhi; Konig,Burkhard
参考文献:Advanced Synthesis & Catalysis 日期:2023 卷标:365(4) 页码:605-611]

4138-35-6 + 98-88-4 = 89928-06-3
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 0 °C; 10 Min,0 °C; 0 °C -> Rt; 12 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water
标题:α,β-Dehydrogenation Of Esters With Free O-H And N-H Functionalities Via Allyl-Palladium Catalysis
作者:Szewczyk,Suzanne M.; Zhao,Yizhou; Sakai,Holt A.; Dube,Pascal; Newhouse,Timothy R.
参考文献:Tetrahedron 日期:2018 卷标:74(26) 页码:3293-3300]

3440-28-6 = 89928-06-3
反应条件:1.1 Catalysts: Tert-Butyl Nitrite Solvents: Methanol; 48 H,40 °C
标题:Green Esterification Of Carboxylic Acids Promoted By Tert-Butyl Nitrite
作者:Zheng,Yonggao; Zhao,Yanwei; Tao,Suyan; Li,Xingxing; Cheng,Xionglve; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(18) 页码:2713-2718]

39860-52-1 + 4138-35-6 = 89928-06-3
反应条件:1.1 Reagents: Diisopropylethylamine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dimethylformamide
标题:A One-Pot Preparation Of N-2-Mercaptobenzoyl-Amino Amides
作者:Bahde,Robert J.; Appella,Daniel H.; Trenkle,William C.
参考文献:Tetrahedron Letters 日期:2011 卷标:52(32) 页码:4103-4105]

65-85-0 + 4138-35-6 = 89928-06-3
反应条件:1.1 Reagents: O-(7-Azabenzotriazol-1-Yl)-N,N,N′,N′-Tetramethyluronium Hexafluorophosphate Solvents: Dichloromethane; 10 - 15 Min,Rt1.2 Reagents: Diisopropylethylamine; Overnight,Rt
标题:Microwave-Assisted Ruthenium-Catalysed Ortho-C-H Functionalization Of N-Benzoyl α-Amino Ester Derivatives
作者:Sharma,Nandini; Bahadur,Vijay; Sharma,Upendra K.; Saha,Debasmita; Li,Zhenghua; Et Al
参考文献:Advanced Synthesis & Catalysis 日期:2018 卷标:360(16) 页码:3083-3089]

7127-19-7 = 89928-06-3 [标题:Reaction Conditions
标题:Esters Of N-Acyl β-Amino Acids By Catalytic Carbonylation Of 1,3-Oxazolines
参考文献:Federal Republic Of Germany

📜苯甲酰氯置于碳酸氢钠,盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺,N,N-二异丙基乙胺体系中,用水,N,N-二甲基甲酰胺作为反应溶剂,化学反应 1.5H,反应生成 N-苯甲酰基-Beta-丙氨酸甲酯
参考文献:A One-Pot Preparation Of N-2-Mercaptobenzoyl-Amino Amides
标题:A One-Pot Preparation Of N-2-Mercaptobenzoyl-Amino Amides
摘要:The Hiv-1 Nucleocapsid (Ncp7),Structurally Defined By Zinc-Binding Domains,Participates In Crucial Stages Of The Hiv-1 Lifecycle And Is Mutationally Nonpermissive,Making It An Attractive Anti-Hiv Target. Mode Of Action Studies Have Shown That The Secondary Structure And Activity Of Ncp7 Can Be Disrupted By Acyl Transfer From N-2-Mercaptobenzoyl-Amino Amides. We Have Developed An Improved One-Pot Reaction That Affords N-2-Mercaptobenzoyl-Amino Acids On Multi-Gram Scales. This Synthetic Route Allows For Rapid Modular Construction And Has Greatly Expanded The Scope Of Easily Accessible Potential Ncp7 Inhibitors. Published By Elsevier Ltd.
DOI:10.1016/j.Tetlet.2011.05.115