Methyl 2-(2-phenylacetamido)benzoate

Base Information

• Chemical Name: Methyl 2-(2-phenylacetamido)benzoate
• CAS No.: 75541-63-8
• Molecular Formula: C16H15 N O3
• Molecular Weight: 269.3
• European Community (EC) Number: 668-667-6
• NSC Number: 205447
• DSSTox Substance ID: DTXSID80308612
• Nikkaji Number: J953.342G
• Wikidata: Q82056573
• Mol file: 75541-63-8.mol

Synonyms:methyl 2-(2-phenylacetamido)benzoate;75541-63-8;methyl 2-[(2-phenylacetyl)amino]benzoate;Methyl 2-[(phenylacetyl)amino]benzoate;Oprea1_847482;SCHEMBL13936057;DTXSID80308612;DGQTYMKCRDJXGM-UHFFFAOYSA-N;methyl2-(2-phenylacetamido)benzoate;NSC205447;AKOS002983225;NSC-205447;Methyl 2-[(phenylacetyl)amino]benzoate #;CS-0261978;EN300-80737;Benzoic acid, 2-(benzylcarbonylamino)-, methyl ester

Chemical Property of Methyl 2-(2-phenylacetamido)benzoate

Chemical Property:

• Vapor Pressure: 1.77E-09mmHg at 25°C
• Boiling Point: 482.8°Cat760mmHg
• Flash Point: 245.8°C
• Density: 1.217g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 269.10519334
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1NC(=O)CC2=CC=CC=C2

Technology Process of Methyl 2-(2-phenylacetamido)benzoate

There total 7 articles about Methyl 2-(2-phenylacetamido)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

phenylacetic acid (103-82-2) + 2-carbomethoxyaniline (134-20-3) → methyl 2-(2-phenylacetamido)benzoate (75541-63-8)

Guidance literature:

phenylacetic acid; With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 1h; Cooling with ice;

2-carbomethoxyaniline; With triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield: 87.0%

2-carbomethoxyaniline (134-20-3) + phenylacetyl chloride (103-80-0) → methyl 2-(2-phenylacetamido)benzoate (75541-63-8)

Guidance literature:

With potassium carbonate; In dichloromethane; at 15 ℃;

DOI:10.1016/0040-4020(95)01035-1

Reference yield: 83.0%

methanol (67-56-1) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + phenylacetylene (536-74-3) → methyl 2-(2-phenylacetamido)benzoate (75541-63-8)

Guidance literature:

With oxygen; potassium carbonate; copper(l) chloride; In acetonitrile; at 20 - 28 ℃; for 12h; under 760.051 Torr; Reagent/catalyst; regioselective reaction; Mechanism; Irradiation; Green chemistry;

DOI:10.1039/c9gc03608c

upstream raw materials:

2-carbomethoxyaniline

phenylacetyl chloride

phenylacetic acid

phenylacetylcarbamic acid methyl ester

Downstream raw materials:

2-benzyl-4H-3,1-benzothiazine-4-thione

4-hydroxy-3-phenyl-2(1H)-quinolone

N-phenylacetylanthranilic acid

N-(2-carbomethoxyphenyl)-3-hydroxy-4-phenylmaleinimide