2-[(3,4-Dichlorophenyl)amino]phenylacetic acid

Base Information

• Chemical Name: 2-[(3,4-Dichlorophenyl)amino]phenylacetic acid
• CAS No.: 127792-33-0
• Molecular Formula: C₁₄H₁₁Cl₂NO₂
• Molecular Weight: 296.153
• ChEMBL ID: CHEMBL76657
• DSSTox Substance ID: DTXSID20877397
• Nikkaji Number: J341.699B
• Wikidata: Q82859187
• Mol file: 127792-33-0.mol

Synonyms:127792-33-0;CHEMBL76657;2-[2-(3,4-dichloroanilino)phenyl]acetic acid;2-[(3,4-Dichlorophenyl)amino]benzeneacetic acid;2-((3,4-Dichlorophenyl)amino)benzeneacetic acid;2-[(3,4-dichlorophenyl)amino]phenylacetic acid;SCHEMBL6240532;DTXSID20877397;HYQBRWVYCIFJFX-UHFFFAOYSA-N;BDBM50228746;PHENYLACETIC ACID,2-(3',4'-DICHLORO)ANILINO

Chemical Property of 2-[(3,4-Dichlorophenyl)amino]phenylacetic acid

Chemical Property:

• PSA: 49.33000
• LogP: 4.43710
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 295.0166840
• Heavy Atom Count: 19
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-[(3,4-Dichlorophenyl)amino]phenylacetic acid

There total 4 articles about 2-[(3,4-Dichlorophenyl)amino]phenylacetic 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-[2-(3,4-Dichloro-phenylamino)-phenyl]-N,N-dimethyl-acetamide → 2-[(3,4-dichlorophenyl)amino]phenylacetic acid (127792-33-0)

Guidance literature:

With potassium hydroxide; In ethanol; for 10h; Yield given; Heating;

DOI:10.1021/jm00171a008

Reference yield:

N,N-dimethyl-2-(2-vinylphenyl)acetamide (75117-26-9) → 2-[(3,4-dichlorophenyl)amino]phenylacetic acid (127792-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate, copper, cuprous iodide / toluene / 100 h / Heating

2: KOH / ethanol / 10 h / Heating

With potassium hydroxide; copper(l) iodide; copper; potassium carbonate; In ethanol; toluene;

DOI:10.1021/jm00171a008

Reference yield:

m,p-dichloroaniline (95-76-1) → 2-[(3,4-dichlorophenyl)amino]phenylacetic acid (127792-33-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate, copper, cuprous iodide / toluene / 100 h / Heating

2: KOH / ethanol / 10 h / Heating

With potassium hydroxide; copper(l) iodide; copper; potassium carbonate; In ethanol; toluene;

DOI:10.1021/jm00171a008

upstream raw materials:

N,N-dimethyl-2-(2-vinylphenyl)acetamide

m,p-dichloroaniline

Refernces

• 1、 Moser,Sallmann,Wiesenberg. "Synthesis and quantitative structure-activity relationships of diclofenac analogues". . p. 2358 - 2368. Retrieved 2007/10/02.