3-amino-N-isobutylbenzamide

Base Information

• Chemical Name: 3-amino-N-isobutylbenzamide
• CAS No.: 81882-64-6
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00393808
• Mol file: 81882-64-6.mol

Synonyms:3-amino-N-isobutylbenzamide;81882-64-6;3-amino-N-(2-methylpropyl)benzamide;SCHEMBL7090374;DTXSID00393808;MFCD01811251;STK520526;AKOS000131685;BS-36200;CS-0330999;F21186

Chemical Property of 3-amino-N-isobutylbenzamide

Chemical Property:

• Vapor Pressure: 1.42E-05mmHg at 25°C
• Melting Point: 109-111 °C
• Boiling Point: 366.9°C at 760 mmHg
• PKA: 15.21±0.46(Predicted)
• Flash Point: 175.7°C
• PSA: 58.61000
• Density: 1.056g/cm³
• LogP: 2.81060
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-N-(2-methylpropyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-amino-N-isobutylbenzamide

There total 1 articles about 3-amino-N-isobutylbenzamide 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: 100.0%

isobutylamine (78-81-9) + meta-aminobenzoic acid (99-05-8,159139-79-4) → 3-amino-N-isobutylbenzamide (81882-64-6)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.ejmech.2020.113033

Reference yield: 45.0%

5-nitrofuran-2-carboxylic chloride (25084-14-4) + 3-amino-N-isobutylbenzamide (81882-64-6) → N-(3-(isobutylcarbamoyl)phenyl)-5-nitrofuran-2-carboxamide

Guidance literature:

5-nitrofuran-2-carboxylic chloride; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

3-amino-N-isobutylbenzamide; With triethylamine; In tetrahydrofuran; at 20 ℃; Cooling with ice;

Reference yield: 14.0%

3-amino-N-isobutylbenzamide (81882-64-6) + pyridoxal 5'-phosphate (54-47-7) → 6-[3-(Isobutylcarbamoyl)phenylazo]-pyridoxal-5-phosphate (608523-53-1)

Guidance literature:

upstream raw materials:

isobutylamine

meta-aminobenzoic acid

Downstream raw materials:

6-[3-(Isobutylcarbamoyl)phenylazo]-pyridoxal-5-phosphate