Enfenamic acid

Base Information

• Chemical Name: Enfenamic acid
• CAS No.: 23049-93-6
• Molecular Formula: C15H15NO2
• Molecular Weight: 241.29
• Hs Code.: 2922499990
• European Community (EC) Number: 854-062-6
• UNII: 05KO5G76R2
• DSSTox Substance ID: DTXSID8057693
• Nikkaji Number: J16.771A
• Wikidata: Q27236121
• NCI Thesaurus Code: C72088
• ChEMBL ID: CHEMBL2106178
• Mol file: 23049-93-6.mol

Synonyms:enfenamic acid;N-phenylethylanthranilic acid;RH-8;Tromaril

Chemical Property of Enfenamic acid

Chemical Property:

• Vapor Pressure: 5.7E-09mmHg at 25°C
• Melting Point: 182-183℃
• Refractive Index: 1.643
• Boiling Point: 452.3 °C at 760 mmHg
• Flash Point: 227.4 °C
• PSA: 49.33000
• Density: 1.214 g/cm³
• LogP: 3.11240
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Enfenamicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC2=CC=CC=C2C(=O)O

Technology Process of Enfenamic acid

There total 3 articles about Enfenamic 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: 91.0%

phenethylamine (64-04-0) + ortho-chlorobenzoic acid (118-91-2) → enfenamic acid (23049-93-6)

Guidance literature:

With copper(I) oxide; copper; potassium carbonate; In various solvent(s); at 130 ℃; for 24h;

DOI:10.1055/s-2007-990875

Reference yield: 91.0%

phenethylamine (64-04-0) + 2-bromobenzoic-acid (88-65-3) → enfenamic acid (23049-93-6)

Guidance literature:

With potassium carbonate; copper(I) oxide; copper; In 2-ethoxy-ethanol; at 130 ℃; for 24h;

DOI:10.1021/jo060034a

Reference yield:

→ enfenamic acid (23049-93-6)

Guidance literature:

Chlorbenzoes., entspr.Amin;

upstream raw materials:

phenethylamine

2-bromobenzoic-acid

ortho-chlorobenzoic acid

Downstream raw materials:

N-(7-chloro-4-quinolyl)-N'-(2-phenylethylaminobenzoyl)-1,3-diaminopropane

Refernces

• 1、 Liu, Shuanglong,Pestano, John Paul C.,Wolf, Christian. "Regioselective copper-catalyzed C-N and C-S bond formation using amines, thiols and halobenzoic acids". . p. 3519 - 3527. Retrieved 2008/09/19.