2-(2,2-Dimethylpropanamido)benzoic acid

Base Information

• Chemical Name: 2-(2,2-Dimethylpropanamido)benzoic acid
• CAS No.: 101724-84-9
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.256
• Hs Code.: 2924299090
• European Community (EC) Number: 808-701-0
• DSSTox Substance ID: DTXSID00500030
• Nikkaji Number: J1.482.987C
• Wikidata: Q82351358
• Mol file: 101724-84-9.mol

Synonyms:101724-84-9;2-[(2,2-dimethylpropanoyl)amino]benzoic acid;2-Pivalamidobenzoic acid;2-(2,2-dimethylpropanamido)benzoic acid;2-(2,2-dimethylpropanoylamino)benzoic acid;2-Pivalamidobenzoicacid;Benzoic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-;SCHEMBL3994998;DTXSID00500030;PGCLHEDGEGINOE-UHFFFAOYSA-N;BEA72484;MFCD01006384;AKOS000125651;JS-2981;FT-0715157;EN300-56220;Z85878883

Chemical Property of 2-(2,2-Dimethylpropanamido)benzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 421.768oC at 760 mmHg
• Flash Point: 208.878oC
• PSA: 66.40000
• Density: 1.198g/cm3
• LogP: 2.44240
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

2-(2,2-Dimethylpropanamido)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=CC=CC=C1C(=O)O

Technology Process of 2-(2,2-Dimethylpropanamido)benzoic acid

There total 4 articles about 2-(2,2-Dimethylpropanamido)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: 80.0%

pivaloyl chloride (3282-30-2) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → N-pivalolyl anthranilic acid (101724-84-9)

Guidance literature:

anthranilic acid; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

pivaloyl chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol101040p

Reference yield: 51.0%

N,N-dimethyloxamic acid (32833-96-8) + N-pivaloylaniline (6625-74-7) → N-pivalolyl anthranilic acid (101724-84-9)

Guidance literature:

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

DOI:10.1039/c5cc07890c

Reference yield: 23.0%

carbon monoxide (201230-82-2) + 2-iodophenylamine (615-43-0) + Trimethylacetic acid (75-98-9) → N-pivalolyl anthranilic acid (101724-84-9)

Guidance literature:

With potassium phosphate; oxygen; palladium diacetate; potassium iodide; calcium chloride; In acetonitrile; at 100 ℃;

DOI:10.1021/jo500417u

upstream raw materials:

2,2-dimethyl-N-(2-methylphenyl)propanamide

pivaloyl chloride

anthranilic acid

carbon monoxide

Downstream raw materials:

N-(2-acetylphenyl)pivalamide

N-(2-benzoylphenyl)pivalamide

C₁₈H₂₅NO₂

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