2-[(4-Chlorobenzyl)amino]benzoic acid

Base Information

• Chemical Name: 2-[(4-Chlorobenzyl)amino]benzoic acid
• CAS No.: 14345-04-1
• Molecular Formula: C₁₄H₁₂ClNO₂
• Molecular Weight: 261.708
• Hs Code.: 2922290090
• European Community (EC) Number: 630-183-8
• DSSTox Substance ID: DTXSID40393443
• Wikidata: Q82192213
• ChEMBL ID: CHEMBL3276619
• Mol file: 14345-04-1.mol

Synonyms:14345-04-1;2-[(4-chlorobenzyl)amino]benzoic acid;2-[(4-Chlorobenzyl)amino]benzenecarboxylic acid;2-[(4-chlorophenyl)methylamino]benzoic acid;2-((4-Chlorobenzyl)amino)benzoic acid;ChemDiv3_014151;2-{[(4-chlorophenyl)methyl]amino}benzoic acid;Benzoic acid, 2-[[(4-chlorophenyl)methyl]amino]-;CHEMBL3276619;SCHEMBL14399036;DTXSID40393443;HMS1513D05;MFCD03032901;STK500668;AKOS001582715;SB81652;SS-2961;IDI1_029949;UNM-0000306021;CS-0315156;FT-0679306;UNM000011084801;SR-01000580346;SR-01000580346-1

Chemical Property of 2-[(4-Chlorobenzyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 2.23E-08mmHg at 25°C
• Refractive Index: 1.666
• Boiling Point: 436.1°Cat760mmHg
• Flash Point: 217.6°C
• PSA: 49.33000
• Density: 1.348g/cm³
• LogP: 3.72330
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 261.0556563
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

2-[(4-Chlorobenzyl)amino]benzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NCC2=CC=C(C=C2)Cl

Technology Process of 2-[(4-Chlorobenzyl)amino]benzoic acid

There total 2 articles about 2-[(4-Chlorobenzyl)amino]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:

2-Iodobenzoic acid (88-67-5) + 4-chlorobenzylamine (104-86-9) → N(p-Chlorbenzyl)anthranilsaeure (14345-04-1)

Guidance literature:

With copper(l) iodide; potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.11.070

Reference yield:

→ N(p-Chlorbenzyl)anthranilsaeure (14345-04-1)

Guidance literature:

entspr. Amin, Alkyl.;

Reference yield:

N(p-Chlorbenzyl)anthranilsaeure (14345-04-1) → 2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one (18600-52-7)

Guidance literature:

With copper(l) iodide; potassium carbonate; In dimethyl sulfoxide; at 90 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.11.070

upstream raw materials:

2-Iodobenzoic acid

4-chlorobenzylamine

Downstream raw materials:

2-(4-chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one

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