3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide

Base Information

• Chemical Name: 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide
• CAS No.: 6837-92-9
• Molecular Formula: C10H16N2O3S
• Molecular Weight: 244.315
• Hs Code.: 2935009090
• European Community (EC) Number: 867-284-3
• DSSTox Substance ID: DTXSID10397650
• Wikidata: Q82199165
• Mol file: 6837-92-9.mol

Synonyms:6837-92-9;3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide;3-Amino-N,N-diethyl-4-hydroxy-benzenesulfonamide;3-amino-N,N-diethyl-4-hydroxybenzene-1-sulfonamide;Benzenesulfonamide,3-amino-N,N-diethyl-4-hydroxy-;SCHEMBL4900235;DTXSID10397650;RTALNXDPLAIQCQ-UHFFFAOYSA-N;MFCD02704903;AKOS000115523;CCG-305882;Metanilamide, N1,N1-diethyl-4-hydroxy-;CS-0218849;FT-0716575;EN300-02188;SR-01000028619;Benzenesulfonamide, 3-amino-N,N-diethyl-4-hydroxy-;J-511706;SR-01000028619-1;Z56785950

Chemical Property of 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.81E-07mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 414.7 °C at 760 mmHg
• Flash Point: 204.6 °C
• PSA: 92.01000
• Density: 1.294 g/cm³
• LogP: 2.66690
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.08816355
• Heavy Atom Count: 16
• Complexity: 309

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-N,N-diethyl-4-hydroxybenzenesulfonamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide

There total 5 articles about 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide 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: 20.0%

1-amino-2-methoxybenzene-5-sulfonic acid diethylamide (97-35-8) → 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide (6837-92-9)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃;

DOI:10.1021/acs.jmedchem.0c00478

Reference yield:

4-methoxy-3-nitrobenzene-1-sulfonyl chloride (22117-79-9) → 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide (6837-92-9)

Guidance literature:

Multi-step reaction with 3 steps

1: dichloromethane / 16 h / 0 - 20 °C

2: 5%-palladium/activated carbon; hydrogen / ethyl acetate; methanol / 16 h / 20 °C

3: boron tribromide / dichloromethane / 20 °C

With 5%-palladium/activated carbon; hydrogen; boron tribromide; In methanol; dichloromethane; ethyl acetate;

DOI:10.1021/acs.jmedchem.0c00478

Reference yield:

N,N-diethyl-4-methoxy-3-nitrobenzenesulfonamide → 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide (6837-92-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 5%-palladium/activated carbon; hydrogen / ethyl acetate; methanol / 16 h / 20 °C

2: boron tribromide / dichloromethane / 20 °C

With 5%-palladium/activated carbon; hydrogen; boron tribromide; In methanol; dichloromethane; ethyl acetate;

DOI:10.1021/acs.jmedchem.0c00478

upstream raw materials:

1-amino-2-methoxybenzene-5-sulfonic acid diethylamide

4-methoxy-3-nitrobenzene-1-sulfonyl chloride

4-methoxy-phenyl-sulphonyl chloride

Downstream raw materials:

3-amino-4-(tert-butyldimethylsilyloxy)-N,N-diethylbenzenesulfonamide