2-[(3-Chlorophenyl)carbamoylamino]benzoic acid

Base Information

• Chemical Name: 2-[(3-Chlorophenyl)carbamoylamino]benzoic acid
• CAS No.: 82594-83-0
• Molecular Formula: C₁₄H₁₁ClN₂O₃
• Molecular Weight: 290.706
• Hs Code.: 2924299090
• European Community (EC) Number: 664-904-2
• ChEMBL ID: CHEMBL1524038
• Mol file: 82594-83-0.mol

Synonyms:AKOS BBS-00005676;82594-83-0;2-[(3-chlorophenyl)carbamoylamino]benzoic acid;2-{[(3-chloroanilino)carbonyl]amino}benzoic acid;Oprea1_156948;MLS000777083;SCHEMBL3336175;CHEMBL1524038;STK088185;AKOS000270598;SMR000413479;2-[3-(3-Chloro-phenyl)-ureido]-benzoic acid;2-{[(3-chlorophenyl)carbamoyl]amino}benzoic acid;2-({[(3-chlorophenyl)amino]carbonyl}amino)benzoic acid

Chemical Property of 2-[(3-Chlorophenyl)carbamoylamino]benzoic acid

Chemical Property:

• PSA: 78.43000
• LogP: 3.82820
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.0458199
• Heavy Atom Count: 20
• Complexity: 364

Purity/Quality:

1-(2-CARBOXYPHENYL)-3-(3-CHLOROPHENYL)UREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC(=CC=C2)Cl

Technology Process of 2-[(3-Chlorophenyl)carbamoylamino]benzoic acid

There total 3 articles about 2-[(3-Chlorophenyl)carbamoylamino]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:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + m-chlorophenyl isocyanate (2909-38-8) → N-(3-chloro-phenylcarbamoyl)-anthranilic acid (82594-83-0)

Guidance literature:

In tetrahydrofuran; Yield given;

Reference yield:

m-Chlorobenzoyl azide (50625-49-5) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → N-(3-chloro-phenylcarbamoyl)-anthranilic acid (82594-83-0)

Guidance literature:

With toluene;

Reference yield:

→ N-(3-chloro-phenylcarbamoyl)-anthranilic acid (82594-83-0)

Guidance literature:

upstream raw materials:

m-Chlorobenzoyl azide

anthranilic acid

m-chlorophenyl isocyanate

Downstream raw materials:

2-(3-chloro-anilino)-benzo[d][1,3]oxazin-4-one