[(2,6-Dimethylphenyl)carbamoyl]formic acid

Base Information

• Chemical Name: [(2,6-Dimethylphenyl)carbamoyl]formic acid
• CAS No.: 2903-48-2
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2922498590
• European Community (EC) Number: 859-550-2
• UNII: J7KKT84Z1Z
• Nikkaji Number: J2.450.446H
• Wikidata: Q27281307
• Mol file: 2903-48-2.mol

Synonyms:2-(2,6-dimethylphenylamino)-2-oxoacetic acid

Chemical Property of [(2,6-Dimethylphenyl)carbamoyl]formic acid

Chemical Property:

• Melting Point: 178-180 °C
• PKA: 0.12±0.54(Predicted)
• PSA: 66.40000
• Density: 1.290±0.06 g/cm3(Predicted)
• LogP: 1.39950
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

98% ^*data from raw suppliers

[(2,6-Dimethylphenyl)carbamoyl]formicacid ^*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)NC(=O)C(=O)O

Technology Process of [(2,6-Dimethylphenyl)carbamoyl]formic acid

There total 3 articles about [(2,6-Dimethylphenyl)carbamoyl]formic 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:

ethyl 2-(2,6-dimethylanilino)-2-oxo-acetate (2903-46-0) → CVT-2537 (2903-48-2)

Guidance literature:

With water; sodium hydroxide; at 20 ℃;

DOI:10.1002/chem.201002110

Reference yield:

2,6-dimethylaniline (87-62-7) → CVT-2537 (2903-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 0 - 70 °C

2: water; sodium hydroxide / 20 °C

With water; sodium hydroxide; In tetrahydrofuran;

DOI:10.1002/chem.201002110

Reference yield:

→ CVT-2537 (2903-48-2)

Guidance literature:

N-Diaethylamino-acetyl-2,6-xylidin-N-oxid, aq. HBr;

upstream raw materials:

ethyl 2-(2,6-dimethylanilino)-2-oxo-acetate

2,6-dimethylaniline

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