4-Acetamido-2-methylbenzoic acid

Base Information

• Chemical Name: 4-Acetamido-2-methylbenzoic acid
• CAS No.: 103204-69-9
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2924299090
• European Community (EC) Number: 680-906-6
• DSSTox Substance ID: DTXSID50370624
• Nikkaji Number: J2.190.926B
• Wikidata: Q72434070
• Mol file: 103204-69-9.mol

Synonyms:4-Acetamido-2-methylbenzoic acid;103204-69-9;Benzoic acid, 4-(acetylamino)-2-methyl-;4-(acetylamino)-2-methylbenzoic acid;4-acetamido-2-methyl-benzoic Acid;MFCD02258874;4-Acetamido-o-toluic Acid;SCHEMBL377804;4-Acetamido-2-methylbenzoicacid;DTXSID50370624;AQPDTYYKDYMCTH-UHFFFAOYSA-N;4-Acetylamino-2-methylbenzoic acid;4-acetylamino-2-methyl-benzoic acid;AKOS009159401;N-acetyl-4-amino-2-methyl-benzoic acid;4-Acetamido-2-methylbenzoic acid, 96%;Benzoic acid,4-(acetylamino)-2-methyl-;BP-10615;PS-11353;CS-0186930;D88534;EN300-901714;AE-562/43460584;2-({2-OXO-2-[4-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)PIPERAZINO]ETHYL}THIO)ACETICACID

Chemical Property of 4-Acetamido-2-methylbenzoic acid

Chemical Property:

• Appearance/Colour: White or yellow powder
• Vapor Pressure: 7.18E-08mmHg at 25°C
• Melting Point: 237-242 °C
• Refractive Index: 1.607
• Boiling Point: 421.9 °C at 760 mmHg
• PKA: 4.04±0.25(Predicted)
• Flash Point: 208.9 °C
• PSA: 66.40000
• Density: 1.276 g/cm³
• LogP: 1.72460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Acetamido-2-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)NC(=O)C)C(=O)O

Technology Process of 4-Acetamido-2-methylbenzoic acid

There total 5 articles about 4-Acetamido-2-methylbenzoic 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:

N-(3,4-dimethylphenyl)acetamide (2198-54-1) → 4-acetylamino-2-methylbenzoic acid (103204-69-9)

Guidance literature:

With potassium permanganate;

DOI:10.1042/bj0730377

Reference yield:

acetic acid-(4-chloroacetyl-3-methyl-anilide) (201810-74-4) → 4-acetylamino-2-methylbenzoic acid (103204-69-9)

Guidance literature:

With dihydrogen peroxide;

Reference yield:

3-Methylacetanilide (537-92-8) → 4-acetylamino-2-methylbenzoic acid (103204-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium chloride; carbon disulfide

2: hydrogen peroxide; alkali

With carbon disulfide; aluminium trichloride; dihydrogen peroxide;

upstream raw materials:

acetic acid-(4-chloroacetyl-3-methyl-anilide)

4-amino-2-methylbenzoic acid

acetic anhydride

N-(3,4-dimethylphenyl)acetamide

Downstream raw materials:

methyl 4-hydrazino-2-methylbenzoate

methyl 4-[5-amino-4-(3,5-dichlorophenyl)-3-trifluoromethylpyrazol-1-yl]-2-methylbenzoate

4-[5-amino-4-(3,5-dichlorophenyl)-3-trifluoromethylpyrazol-1-yl]-2-methylbenzoic acid

4-[5-amino-4-(3,5-dichlorophenyl)-3-trifluoromethylpyrazol-1-yl]-2-methyl-N-pyridin-2-ylmethylbenzamide

Refernces