2-Acetamido-3-methylbenzoic acid

Base Information

• Chemical Name: 2-Acetamido-3-methylbenzoic acid
• CAS No.: 67081-69-0
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80505280
• Nikkaji Number: J3.519.603J
• Wikidata: Q82360275
• Mol file: 67081-69-0.mol

Synonyms:2-Acetamido-3-methylbenzoic acid;67081-69-0;2-(acetylamino)-3-methylbenzoic acid;2-acetylamino-3-methylbenzoic acid;SCHEMBL950942;2-Acetamido-3-methylbenzoicacid;DTXSID80505280;LUSVQRVZKWYZSU-UHFFFAOYSA-N;MFCD08691234;AKOS000264428;EN300-26186;Z221300464

Chemical Property of 2-Acetamido-3-methylbenzoic acid

Chemical Property:

• PSA: 69.89000
• LogP: 2.30110
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• 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:

99% ^*data from raw suppliers

2-acetamido-3-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Acetamido-3-methylbenzoic acid

There total 9 articles about 2-Acetamido-3-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: 94.0%

3-methylantranilic acid (4389-45-1) + acetic anhydride (108-24-7) → 2-acetylamino-3-methylbenzoic acid (67081-69-0)

Guidance literature:

for 2h; Reflux;

Reference yield: 60.0%

carbon monoxide (201230-82-2) + N-(2-methylphenyl)acetamide (120-66-1) → 2-acetylamino-3-methylbenzoic acid (67081-69-0)

Guidance literature:

With water; palladium diacetate; toluene-4-sulfonic acid; p-benzoquinone; In 1,4-dioxane; acetic acid; at 20 - 60 ℃; under 760.051 Torr;

DOI:10.1021/ja9077705

Reference yield: 52.0%

N,N-dimethyloxamic acid (32833-96-8) + N-(2-methylphenyl)acetamide (120-66-1) → 2-acetylamino-3-methylbenzoic acid (67081-69-0)

Guidance literature:

With dipotassium peroxodisulfate; palladium diacetate; trifluoroacetic acid; In 1,2-dichloro-ethane; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1039/c5cc07890c

upstream raw materials:

N-(2,6-dimethylphenyl)acetamide

2,8-dimethylquinoline

2,7-dimethyl-1H-indole

3-methylantranilic acid

Downstream raw materials:

2-acetylamino-3-methyl-5-nitrobenzoic acid

methyl 2-iodo-3-methyl-5-nitrobenzoate

2-Iodo-3-methyl-5-nitrobenzoic acid

2-amino-3-methyl-5-nitrobenzoic acid