Benzamide, N,N-diethyl-2-[(phenylsulfonyl)amino]-

Base Information

• Chemical Name: Benzamide, N,N-diethyl-2-[(phenylsulfonyl)amino]-
• CAS No.: 198414-90-3
• Molecular Formula: C17H20N2O3S
• Molecular Weight: 332.41700
• DSSTox Substance ID: DTXSID90407665
• Nikkaji Number: J894.736H
• Wikidata: Q82212987
• Mol file: 198414-90-3.mol

Synonyms:Benzamide, N,N-diethyl-2-[(phenylsulfonyl)amino]-;198414-90-3;2-(benzenesulfonamido)-N,N-diethylbenzamide;N,N-diethyl-2-[(phenylsulfonyl)amino]benzamide;DTXSID90407665;AKOS000398619

Chemical Property of Benzamide, N,N-diethyl-2-[(phenylsulfonyl)amino]-

Chemical Property:

• Melting Point: 79-80 °C(Solv: ethanol (64-17-5))
• Boiling Point: 514.1±52.0 °C(Predicted)
• PSA: 74.86000
• Density: 1.245±0.06 g/cm3(Predicted)
• LogP: 4.12320
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 332.11946368
• Heavy Atom Count: 23
• Complexity: 477

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)C(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2

Technology Process of Benzamide, N,N-diethyl-2-[(phenylsulfonyl)amino]-

There total 2 articles about Benzamide, N,N-diethyl-2-[(phenylsulfonyl)amino]- 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%

2-amino-N,N-diethylbenzamide (76854-95-0) + benzenesulfonyl chloride (98-09-9) → N1,N1-diethyl-2-[(phenylsulfonyl)amino]benzamide (198414-90-3)

Guidance literature:

In pyridine; at 60 ℃; for 1h;

DOI:10.1081/SCC-120006473

Reference yield:

2-carbomethoxyaniline (134-20-3) → N1,N1-diethyl-2-[(phenylsulfonyl)amino]benzamide (198414-90-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: butyllithium / hexane; diethyl ether / 0.25 h / 0 °C

1.2: 85 percent / diethyl ether; hexane / 1 h / Heating

2.1: 80 percent / pyridine / 1 h / 60 °C

With n-butyllithium; In pyridine; diethyl ether; hexane;

DOI:10.1081/SCC-120006473

Reference yield:

N1,N1-diethyl-2-[(phenylsulfonyl)amino]benzamide (198414-90-3) → (10,10-dioxo-10,11-dihydro-5H-10λ6-thia-11-aza-dibenzo[a,d]cyclohepten-5-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine

Guidance literature:

Multi-step reaction with 4 steps

1: 25 percent / LDA / tetrahydrofuran / 20 h / 20 °C

2: 65 percent / LiAlH₄ / diethyl ether / 4 h / Heating

3: 75 percent / HCl / CHCl₃ / 0.5 h / 20 °C

4: 50 percent / nitromethane / 3 h / 60 °C

With hydrogenchloride; lithium aluminium tetrahydride; lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; nitromethane; chloroform;

DOI:10.1081/SCC-120006473

upstream raw materials:

2-amino-N,N-diethylbenzamide

benzenesulfonyl chloride

2-carbomethoxyaniline