4-amino-N,N-dipropylbenzamide

Base Information

• Chemical Name: 4-amino-N,N-dipropylbenzamide
• CAS No.: 79868-19-2
• Molecular Formula: C13H20N2O
• Molecular Weight: 220.315
• Hs Code.: 2924299090
• ChEMBL ID: CHEMBL352184
• DSSTox Substance ID: DTXSID80586397
• Nikkaji Number: J1.878.365G
• Wikidata: Q82478516
• Mol file: 79868-19-2.mol

Synonyms:4-amino-N,N-dipropylbenzamide;79868-19-2;Benzamide, 4-amino-N,N-dipropyl-;Oprea1_155304;CHEMBL352184;4-Amino-N,N-dipropyl-benzamide;SCHEMBL10777907;p-Aminobenzoic acid dipropylamide;DTXSID80586397;YZZJRTKRDSVWQU-UHFFFAOYSA-N;BBL023666;MFCD03206821;STL067944;AKOS000130392;CCG-305814;MCULE-3967023987;VS-07479;CS-0249575;EN300-43975;F74784;Z239125142

Chemical Property of 4-amino-N,N-dipropylbenzamide

Chemical Property:

• Boiling Point: 392.6±25.0 °C(Predicted)
• PKA: 3.56±0.10(Predicted)
• PSA: 46.33000
• Density: 1.034±0.06 g/cm3(Predicted)
• LogP: 2.33200
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 220.157563266
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

98%Min ^*data from raw suppliers

4-amino-N,N-dipropylbenzamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)C(=O)C1=CC=C(C=C1)N
• Uses: 4-Amino-N,N-diethylbenzamide is a reagent in the synthesis of proline-rich tyrosine kinase and focal adhesion kinase inhibition.

Technology Process of 4-amino-N,N-dipropylbenzamide

There total 6 articles about 4-amino-N,N-dipropylbenzamide 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: 80.0%

4-nitro-N,N-(di-n-propyl)benzamide (79868-22-7) → 4-amino-N,N-(di-n-propyl)-benzamide (79868-19-2)

Guidance literature:

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

DOI:10.1021/jm00372a013

Reference yield:

di-n-propylamine (142-84-7) → 4-amino-N,N-(di-n-propyl)-benzamide (79868-19-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 20percent (w/v) K₂CO₃ / tetrahydrofuran / 12 h / Heating

2: 80 percent / H₂ / 5percent Pd/C / ethanol / 3 h / 2327.2 Torr

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

DOI:10.1021/jm00372a013

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → 4-amino-N,N-(di-n-propyl)-benzamide (79868-19-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 20percent (w/v) K₂CO₃ / tetrahydrofuran / 12 h / Heating

2: 80 percent / H₂ / 5percent Pd/C / ethanol / 3 h / 2327.2 Torr

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

DOI:10.1021/jm00372a013

upstream raw materials:

4-nitro-N,N-(di-n-propyl)benzamide

4-nitro-benzoyl chloride

di-n-propylamine

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