2-(2-phenylacetamido)benzoic Acid

Base Information

• Chemical Name: 2-(2-phenylacetamido)benzoic Acid
• CAS No.: 28565-98-2
• Molecular Formula: C15H13 N O3
• Molecular Weight: 255.273
• Hs Code.: 2924299090
• European Community (EC) Number: 696-297-5
• DSSTox Substance ID: DTXSID50354202
• Nikkaji Number: J584.201H
• Wikidata: Q82132217
• ChEMBL ID: CHEMBL211692
• Mol file: 28565-98-2.mol

Synonyms:2-(2-phenylacetamido)benzoic Acid;28565-98-2;2-[(phenylacetyl)amino]benzoic acid;2-[(2-phenylacetyl)amino]benzoic acid;benzoic acid, 2-[(2-phenylacetyl)amino]-;Cambridge id 5128636;Oprea1_708514;CBDivE_006156;(phenylacetyl)anthranilic acid;MLS000530161;CHEMBL211692;SCHEMBL4040223;2-(2-phenylacetamido)benzoicAcid;DTXSID50354202;HMS1578O06;HMS2359O10;MFCD00437388;STK266258;AKOS000199136;FF-0211;SMR000135138;2-[(PHENYLACETYL)AMINO]BENZOICACID;CS-0221085;EU-0001001;EN300-08313;SR-01000395487;SR-01000395487-1;Z56943503

Chemical Property of 2-(2-phenylacetamido)benzoic Acid

Chemical Property:

• Vapor Pressure: 1.52E-11mmHg at 25°C
• Boiling Point: 517.7°C at 760 mmHg
• Flash Point: 266.9°C
• PSA: 66.40000
• Density: 1.304g/cm3
• LogP: 2.63900
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.08954328
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Phenylacetamido)benzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)O

Technology Process of 2-(2-phenylacetamido)benzoic Acid

There total 8 articles about 2-(2-phenylacetamido)benzoic Acid 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: 100.0%

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + phenylacetyl chloride (103-80-0) → N-phenylacetylanthranilic acid (28565-98-2)

Guidance literature:

In N,N-dimethyl acetamide; at 0 ℃; for 4h;

DOI:10.1021/jacs.5b07726

Reference yield: 92.0%

methyl 2-(2-phenylacetamido)benzoate (75541-63-8) → N-phenylacetylanthranilic acid (28565-98-2)

Guidance literature:

With water; sodium hydroxide; In methanol; dichloromethane; Reflux;

DOI:10.1007/s00044-012-0269-6

Reference yield:

2-carbomethoxyaniline (134-20-3) → N-phenylacetylanthranilic acid (28565-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂ / 0.5 h

2: 5 N aq. NaOH / methanol / 0.5 h / Heating

With pyridine; sodium hydroxide; In methanol; dichloromethane;

DOI:10.1021/jm00092a003

upstream raw materials:

anthranilic acid

phenylacetyl chloride

methyl 2-(2-phenylacetamido)benzoate

phenylacetic acid

Downstream raw materials:

2-benzyl-4H-3,1-benzoxazine-4-one

3-phenyl-quinoline-2,4-diol

4-Diethylamino-3-phenyl-1H-benzo[b]azepine-2,5-dione

2-(phenylmethyl)-3-phenyl-4(3H)-quinazolinone