N-(3-aminophenyl)-2-methylpropanamide

Base Information

• Chemical Name: N-(3-aminophenyl)-2-methylpropanamide
• CAS No.: 213831-00-6
• Molecular Formula: C₁₀H₁₄N₂O
• Molecular Weight: 178.234
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60359369
• Wikidata: Q82140558
• Mol file: 213831-00-6.mol

Synonyms:N-(3-aminophenyl)-2-methylpropanamide;213831-00-6;N-(3-Amino-phenyl)-isobutyramide;Propanamide, N-(3-aminophenyl)-2-methyl-;Oprea1_353818;Oprea1_568956;SCHEMBL520125;N-(3-Aminophenyl)isobutyramide;DTXSID60359369;HAUYNXLUELAHAQ-UHFFFAOYSA-N;BBL000204;MFCD02258054;STK001798;AKOS000103858;N-(3-aminophenyl)-2-methyl-Propanamide;VS-00489;BB 0218429;EN300-33512;N-(3-Aminophenyl)-2-methylpropanamide, AldrichCPR;Z57212931

Chemical Property of N-(3-aminophenyl)-2-methylpropanamide

Chemical Property:

• PSA: 55.12000
• LogP: 2.51750
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.110613074
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(3-aminophenyl)-2-methylpropanamide

There total 2 articles about N-(3-aminophenyl)-2-methylpropanamide 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: 81.0%

→ N-(3-aminophenyl)-1-methylethylcarboxamide (213831-00-6)

Guidance literature:

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:

N-(3-nitrophenyl)isobutyramide (5434-53-7) → N-(3-aminophenyl)-1-methylethylcarboxamide (213831-00-6)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In isopropyl alcohol; Inert atmosphere; Microwave irradiation;

DOI:10.1021/jm2013369

Reference yield: 99.0%

N-(3-aminophenyl)-1-methylethylcarboxamide (213831-00-6) + 1,1'-bis(2,4-dinitrophenyl)-4,4'-bipyridinium dichloride → C30H32N4O2(2+)*2Cl(1-)

Guidance literature:

In DMF (N,N-dimethyl-formamide); at 95 ℃; for 6h;

upstream raw materials:

N-(3-nitrophenyl)isobutyramide

Downstream raw materials:

Cyclopropanecarboxylic acid (3-isobutyrylamino-phenyl)-amide

N-[3-(3-Propyl-ureido)-phenyl]-isobutyramide

N-(3-Isobutyrylamino-phenyl)-butyramide

N-(3-Phenylacetylamino-phenyl)-isobutyramide