2-(Tert-butylcarbamoyl)benzoic acid

Base Information

• Chemical Name: 2-(Tert-butylcarbamoyl)benzoic acid
• CAS No.: 20320-35-8
• Molecular Formula: C12H14NO3-
• Molecular Weight: 221.256
• Hs Code.: 2924299090
• European Community (EC) Number: 688-761-0
• DSSTox Substance ID: DTXSID00352637
• Nikkaji Number: J839.010J
• Wikidata: Q82129890
• Mol file: 20320-35-8.mol

Synonyms:2-(tert-butylcarbamoyl)benzoic acid;20320-35-8;2-[(tert-butylamino)carbonyl]benzoic acid;CBMicro_014344;benzoic acid, 2-[[(1,1-dimethylethyl)amino]carbonyl]-;N-tert-Butylphthalamic acid;Oprea1_472840;Oprea1_579702;2-(butylcarbamoyl)benzoic acid;SCHEMBL14357551;DTXSID00352637;2-(tert-butylcarbamoyl)benzoicacid;SMSF0004785;MFCD00029960;STK096113;AKOS000118567;CB10835;BIM-0014338.P001;CS-0221694;EN300-09808;2-[(TERT-BUTYLAMINO)CARBONYL]BENZOICACID;SR-01000465752;SR-01000465752-1;Z56968136

Chemical Property of 2-(Tert-butylcarbamoyl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.82E-07mmHg at 25°C
• Boiling Point: 410.3°Cat760mmHg
• Flash Point: 201.9°C
• PSA: 69.89000
• Density: 1.153g/cm³
• LogP: 2.48790
• XLogP3: 1.5
• 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:

99% ^*data from raw suppliers

2-(tert-butylcarbamoyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C1=CC=CC=C1C(=O)O

Technology Process of 2-(Tert-butylcarbamoyl)benzoic acid

There total 8 articles about 2-(Tert-butylcarbamoyl)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: 96.0%

phthalic anhydride (85-44-9) + tert-butylamine (75-64-9) → 2-tert-butylisoindole-1,3-dione (2141-99-3) + 2-(tert-butylcarbamoyl)benzoic acid (20320-35-8)

Guidance literature:

phthalic anhydride; tert-butylamine; In N,N-dimethyl acetamide; at 20 ℃; for 24h;

In N,N-dimethyl acetamide; xylene; at 140 ℃; for 48h;

DOI:10.1021/ma049232z

Reference yield: 83.0%

phthalic anhydride (85-44-9) + tert-butylamine (75-64-9) → 2-(tert-butylcarbamoyl)benzoic acid (20320-35-8)

Guidance literature:

In dichloromethane; at 30 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol500403x

Reference yield: 47.0%

formic acid (64-18-6) + N-(tert-butyl)-2-iodobenzamide → 2-tert-butylisoindole-1,3-dione (2141-99-3) + 2-(tert-butylcarbamoyl)benzoic acid (20320-35-8)

Guidance literature:

With iodine; palladium diacetate; triethylamine; triphenylphosphine; In toluene; at 80 ℃; for 3h;

DOI:10.1016/j.tet.2019.01.023

upstream raw materials:

3-(tert-butylimino)isobenzofuran-1(3H)-one

phthalic anhydride

tert-butylamine

3,3-dichlorophthalide

Downstream raw materials:

3-(tert-butylimino)isobenzofuran-1(3H)-one

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