Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-

Base Information

• Chemical Name: Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
• CAS No.: 97-35-8
• Molecular Formula: C11H18N2O3S
• Molecular Weight: 258.342
• Hs Code.: 29261000
• European Community (EC) Number: 202-575-5
• NSC Number: 50670
• UNII: JX9EQ4DY8G
• DSSTox Substance ID: DTXSID1059151
• Nikkaji Number: J4.948D
• Wikidata: Q72478094
• ChEMBL ID: CHEMBL1409972
• Mol file: 97-35-8.mol

Synonyms:97-35-8;3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide;Fast Red ITR;Fast Red ITR Base;Red ITR base;Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-;Orle Base Fast Red ITR;Brentamine Fast Red ITR Base;N1,N1-Diethyl-4-methoxymetanilamide;2-Methoxy-5-(diethylsulfamoyl)aniline;2-Methoxy-5-(diethylaminosulfonyl)aniline;C.I. 37150;3-Amino-N,N-diethyl-4-methoxybenzenesulphonamide;C11H18N2O3S;NSC 50670;JX9EQ4DY8G;Metanilamide, N1,N1-diethyl-4-methoxy-;3-amino-N,N-diethyl-4-methoxy;Azoic diazo component 42, base;3-Amino-N,N-Diethyl-4-Methoxy-Benzenesulfonamide;EINECS 202-575-5;NSC-50670;2-Methoxyaniline-5-sulfonic acid diethylamide;Azoic Diazo No. 42;MFCD00009045;UNII-JX9EQ4DY8G;Azoic Diazo Component 42;MLS000776114;3-amino-N,N-diethyl-4-methoxybenzene-1-sulfonamide;SCHEMBL1143451;CHEMBL1409972;DTXSID1059151;HMS2689B20;NSC50670;Metanilamide,N1-diethyl-4-methoxy-;AKOS000120773;CS-W021035;HY-W040295;Benzenesulfonamide,N-diethyl-4-methoxy-;NCGC00246038-01;AS-15346;SMR000371124;2-Methoxy-5-(N,N-diethylsulfamoyl)aniline;3-Amino-4-methoxydiethylaminosulfonylbenzene;F0089;FT-0614983;3-amino-N,N-diethyl-4-methoxybenzensulfonamid;EN300-16973;D90628;N'-Diethyl-3-amino-4-methoxybenzenesulfonamide;3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide #;N',N'-Diethyl-3-amino-4-methoxybenzenesulfonamide;SR-01000034753;SR-01000034753-1;W-100111;Benzenesulphonamide, 3-amino-N,N-diethyl-4-methoxy-;Z56845253;3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-2-[(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrole-3-carbonyl)amino]propanoic acid

Chemical Property of Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-

Chemical Property:

• Appearance/Colour: White uniform powder
• Vapor Pressure: 5.96E-07mmHg at 25°C
• Melting Point: 102-105 °C
• Refractive Index: 1.547
• Boiling Point: 410.6 °C at 760 mmHg
• PKA: 3.23±0.10(Predicted)
• Flash Point: 202.1 °C
• PSA: 81.01000
• Density: 1.205 g/cm³
• LogP: 2.96990
• Storage Temp.: room temp
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.10381361
• Heavy Atom Count: 17
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

Fast Red ITR ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T,N
• Hazard Codes: F,T,N

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-

There total 5 articles about Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy- 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: 96.0%

N,N-diethyl-4-methoxy-3-nitrobenzenesulfonamide → 1-amino-2-methoxybenzene-5-sulfonic acid diethylamide (97-35-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; ethyl acetate; at 20 ℃;

Reference yield:

4-methoxy-3-nitrobenzene-1-sulfonyl chloride (22117-79-9) → 1-amino-2-methoxybenzene-5-sulfonic acid diethylamide (97-35-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 16 h / 0 - 20 °C

2: hydrogen; palladium on activated charcoal / ethyl acetate; methanol / 20 °C

With palladium on activated charcoal; hydrogen; In methanol; dichloromethane; ethyl acetate;

Reference yield:

4-methoxy-phenyl-sulphonyl chloride (98-68-0) → 1-amino-2-methoxybenzene-5-sulfonic acid diethylamide (97-35-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; nitric acid / 2 h / 0 °C

2: dichloromethane / 16 h / 0 - 20 °C

3: hydrogen; palladium on activated charcoal / ethyl acetate; methanol / 20 °C

With sulfuric acid; palladium on activated charcoal; hydrogen; nitric acid; In methanol; dichloromethane; ethyl acetate;

upstream raw materials:

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

4-methoxy-phenyl-sulphonyl chloride

Downstream raw materials:

N-(2-tolyl)-3-amino-N,N-diethyl-4-methoxybenzenesulfonamide

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

3-[(4-chlorophenyl)thio]-N,N-diethyl-7-methoxy-2-methyl-1H-indole

5-(2-Methoxy-5-diethylsulfamoylphenylazo)-6-hydroxychrysen

Refernces

• 1、 Hügle, Martin,Regenass, Pierre,Warstat, Robin,Hau, Mirjam,Schmidtkunz, Karin,Lucas, Xavier,Wohlwend, Daniel,Einsle, Oliver,Jung, Manfred,Breit, Bernhard,Günther, Stefan. "4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines". . p. 15603 - 15620. Retrieved 2020/12/23.
• 2、 -. "One step diazotization coupling process". . . Retrieved 2008/06/13.