2-[Methyl(phenyl)amino]benzoic acid

Base Information

• Chemical Name: 2-[Methyl(phenyl)amino]benzoic acid
• CAS No.: 73323-82-7
• Molecular Formula: C14H13NO2
• Molecular Weight: 227.263
• DSSTox Substance ID: DTXSID101299180
• Nikkaji Number: J1.773.898D
• Mol file: 73323-82-7.mol

Synonyms:2-[methyl(phenyl)amino]benzoic acid;73323-82-7;2-(N-Methylanilino)benzoic acid;2-(N-methyl-N-phenylamino)-benzoic acid;methylphenylanthranilic acid;SCHEMBL4249310;2-(Methylphenylamino)benzoic acid;RGHUOXSZSHFHAN-UHFFFAOYSA-N;DTXSID101299180;2-[methyl(phenyl)amino]benzoicacid;AKOS000260225;CCG-357842;2-(N-methyl-N-phenylamino)benzoic acid;EN300-42633;Z335441036

Chemical Property of 2-[Methyl(phenyl)amino]benzoic acid

Chemical Property:

• PSA: 40.54000
• LogP: 3.15270
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

2-[Methyl(phenyl)amino]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C2=CC=CC=C2C(=O)O

Technology Process of 2-[Methyl(phenyl)amino]benzoic acid

There total 17 articles about 2-[Methyl(phenyl)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: 93.0%

2-(phenylamino)benzoic acid (91-40-7) + methyl iodide (74-88-4) → 2-(N-Methyl-N-phenylamino)-benzoic acid (73323-82-7)

Guidance literature:

In tetrahydrofuran; hexane; water;

Reference yield: 92.0%

N-methyl-N-phenylanthranilic acid methyl ester (169170-03-0) → 2-(N-Methyl-N-phenylamino)-benzoic acid (73323-82-7)

Guidance literature:

With potassium hydroxide; In methanol; water; for 12h; Inert atmosphere; Sealed tube; Reflux;

DOI:10.1021/acs.orglett.6b02845

Reference yield: 87.0%

N-methylaniline (100-61-8) + o-fluoro-benzoic acid (445-29-4) → 2-(N-Methyl-N-phenylamino)-benzoic acid (73323-82-7)

Guidance literature:

In tetrahydrofuran; isopropyl alcohol ("IPA"); water;

upstream raw materials:

n-butyllithium

benzhydrylidene(methyl)amine

2-(phenylamino)benzoic acid

methyl iodide

Downstream raw materials:

N-methyl-N-phenylanthranilic acid methyl ester

acridine

9-phenylacridine

[2-(methylanilino)phenyl](phenyl)methanole