N-(3-aminophenyl)-2,2-dimethylpropanamide

Base Information

• Chemical Name: N-(3-aminophenyl)-2,2-dimethylpropanamide
• CAS No.: 41402-58-8
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10588309
• Wikidata: Q82480906
• Mol file: 41402-58-8.mol

Synonyms:N-(3-aminophenyl)-2,2-dimethylpropanamide;41402-58-8;N-(3-aminophenyl)pivalamide;Propanamide,N-(3-aminophenyl)-2,2-dimethyl-;SCHEMBL3209453;DTXSID10588309;SWZXCZQXUJHQJZ-UHFFFAOYSA-N;BBL023376;MFCD09048462;STL061092;AKOS000101008;MCULE-5772197459;VS-07405;CS-0244562;N-(3-aminophenyl)-2,2-dimethyl-propanamide;EN300-28234;G22429;N-(3-Amino-phenyl)-2,2-dimethyl-propionamide;Z235346279

Chemical Property of N-(3-aminophenyl)-2,2-dimethylpropanamide

Chemical Property:

• PSA: 55.12000
• LogP: 2.90760
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

98%Min ^*data from raw suppliers

N-(3-aminophenyl)-2,2-dimethylpropanamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=CC=CC(=C1)N

Technology Process of N-(3-aminophenyl)-2,2-dimethylpropanamide

There total 5 articles about N-(3-aminophenyl)-2,2-dimethylpropanamide 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: 99.0%

N-(3-nitrophenyl)pivalamide (32597-30-1) → N-(3-aminophenyl)-1,1-dimethylethylcarboxamide (41402-58-8)

Guidance literature:

N-(3-nitrophenyl)pivalamide; With ammonium carbonate; In ethanol; for 0.0833333h; Inert atmosphere; Cooling with ice;

With palladium 10% on activated carbon; In ethanol; at 0 - 20 ℃; for 18h; Inert atmosphere;

Reference yield:

2,2-dimethylpropanoic anhydride (1538-75-6) + m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → N-(3-aminophenyl)-1,1-dimethylethylcarboxamide (41402-58-8)

Guidance literature:

2,2-dimethylpropanoic anhydride; m-phenylenediamine; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 18h;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → N-(3-aminophenyl)-1,1-dimethylethylcarboxamide (41402-58-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane;

upstream raw materials:

m-phenylenediamine

2,2-dimethylpropanoic anhydride

N-(3-nitrophenyl)pivalamide

pivaloyl chloride

Downstream raw materials:

2,2-Dimethyl-N-[3-(3-propyl-ureido)-phenyl]-propionamide

N-[3-(2,2-Dimethyl-propionylamino)-phenyl]-butyramide

3-Methyl-but-2-enoic acid [3-(2,2-dimethyl-propionylamino)-phenyl]-amide

N-[3-(2,2-Dimethyl-propionylamino)-phenyl]-2-methyl-butyramide