3-Amino-N-(2-isopropylphenyl)benzamide

Base Information

• Chemical Name: 3-Amino-N-(2-isopropylphenyl)benzamide
• CAS No.: 102630-91-1
• Molecular Formula: C₁₆H₁₈N₂O
• Molecular Weight: 254.332
• ChEMBL ID: CHEMBL284075
• DSSTox Substance ID: DTXSID101259693
• Mol file: 102630-91-1.mol

Synonyms:3-AMINO-N-(2-ISOPROPYLPHENYL)BENZAMIDE;102630-91-1;3-amino-N-(2-propan-2-ylphenyl)benzamide;Benzamide, 3-amino-N-[2-(1-methylethyl)phenyl]-;CHEMBL284075;DTXSID101259693;AKOS000156134;3-amino-n-(2-(propan-2-yl)phenyl)benzamide;3-Amino-N-[2-(1-methylethyl)phenyl]benzamide

Chemical Property of 3-Amino-N-(2-isopropylphenyl)benzamide

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 254.141913202
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N

Technology Process of 3-Amino-N-(2-isopropylphenyl)benzamide

There total 3 articles about 3-Amino-N-(2-isopropylphenyl)benzamide 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: 55.0%

N-(2-Isopropyl-phenyl)-3-nitro-benzamide (102631-09-4) → 3-Amino-N-(2-isopropyl-phenyl)-benzamide (102630-91-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; for 3h; under 2327.2 Torr;

DOI:10.1021/jm00158a038

Reference yield:

2-isopropylaniline (643-28-7) → 3-Amino-N-(2-isopropyl-phenyl)-benzamide (102630-91-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / aq. K₂CO₃ / tetrahydrofuran / 12 h / Heating

2: 55 percent / H₂ / 5percent Pd/C / 3 h / 2327.2 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1021/jm00158a038

Reference yield:

m-nitrobenzoic acid chloride (121-90-4) → 3-Amino-N-(2-isopropyl-phenyl)-benzamide (102630-91-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / aq. K₂CO₃ / tetrahydrofuran / 12 h / Heating

2: 55 percent / H₂ / 5percent Pd/C / 3 h / 2327.2 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1021/jm00158a038

upstream raw materials:

N-(2-Isopropyl-phenyl)-3-nitro-benzamide

2-isopropylaniline

m-nitrobenzoic acid chloride