2-[(2-Fluorophenyl)carbamoyl]benzoic acid

Base Information

• Chemical Name: 2-[(2-Fluorophenyl)carbamoyl]benzoic acid
• CAS No.: 19336-75-5
• Molecular Formula: C14H10FNO3
• Molecular Weight: 259.237
• Hs Code.: 2924299090
• European Community (EC) Number: 653-896-6
• NSC Number: 164306
• DSSTox Substance ID: DTXSID70304128
• Wikidata: Q82049827
• ChEMBL ID: CHEMBL422063
• Mol file: 19336-75-5.mol

Synonyms:19336-75-5;2-[(2-fluorophenyl)carbamoyl]benzoic acid;2-((2-fluorophenyl)carbamoyl)benzoic acid;Benzoic acid,2-[[(2-fluorophenyl)amino]carbonyl]-;2-[[(2-FLUOROPHENYL)AMINO]CARBONYL]-BENZOIC ACID;NSC164306;2'-fluorophthalanilic acid;Oprea1_432090;CHEMBL422063;IFLab1_003426;SCHEMBL2699444;DTXSID70304128;HMS1421L16;STK355991;AKOS000269513;NSC-164306;2-((2-fluorophenyl)carbamoyl)benzoicacid;CS-0333730;SR-01000009044;SR-01000009044-1;Z90424235;2-[[(2-FLUOROPHENYL)AMINO]CARBONyl]benZOIC ACID;F0777-0972

Chemical Property of 2-[(2-Fluorophenyl)carbamoyl]benzoic acid

Chemical Property:

• Vapor Pressure: 1.58E-05mmHg at 25°C
• Refractive Index: 1.653
• Boiling Point: 351 °C at 760 mmHg
• Flash Point: 166.1 °C
• PSA: 66.40000
• Density: 1.4 g/cm³
• LogP: 2.84920
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 259.06447134
• Heavy Atom Count: 19
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

2'-FLUOROPHTHALANILIC ACID 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)NC2=CC=CC=C2F)C(=O)O

Technology Process of 2-[(2-Fluorophenyl)carbamoyl]benzoic acid

There total 1 articles about 2-[(2-Fluorophenyl)carbamoyl]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: 88.0%

phthalic anhydride (85-44-9) + 2-Fluoroaniline (348-54-9) → N-(2-Fluoro-phenyl)-phthalamic acid (19336-75-5)

Guidance literature:

at 135 ℃; for 0.0333333h; microwave irradiation;

DOI:10.1016/S0960-894X(01)00540-6

Reference yield:

N-(2-Fluoro-phenyl)-phthalamic acid (19336-75-5) → 2-(2-fluorophenyl)isoindoline-1,3-dione (568-95-6)

Guidance literature:

With sodium acetate; acetic anhydride; at 90 ℃;

DOI:10.3762/bjoc.10.81

Reference yield:

N-(2-Fluoro-phenyl)-phthalamic acid (19336-75-5) → 2-(2-fluorophenyl)-3-hydroxyisoindolin-1-one

Guidance literature:

Multi-step reaction with 2 steps

1: acetic anhydride; sodium acetate / 90 °C

2: sodium tetrahydroborate / methanol / 1 h / Cooling with ice

With sodium tetrahydroborate; sodium acetate; acetic anhydride; In methanol;

DOI:10.3762/bjoc.10.81

upstream raw materials:

phthalic anhydride

2-Fluoroaniline

Downstream raw materials:

2-(2-fluorophenyl)isoindoline-1,3-dione

Refernces

• 1、 Jha, Amitabh,Chou, Ting-Yi,ALJaroudi, Zainab,Ellis, Bobby D.,Cameron, T. Stanley. "Aza-DielsAlder reaction between N-aryl-1-oxo-1H-isoindolium ions and tert-enamides: Steric effects on reaction outcome". supporting information. p. 848 - 857. Retrieved 2014/05/06.