3-amino-N,N-diethylbenzenesulfonamide

Base Information

• Chemical Name: 3-amino-N,N-diethylbenzenesulfonamide
• CAS No.: 10372-41-5
• Molecular Formula: C10H16N2O2S
• Molecular Weight: 228.315
• Hs Code.: 2935009090
• European Community (EC) Number: 844-059-8
• DSSTox Substance ID: DTXSID90387993
• Nikkaji Number: J2.591.739A
• Mol file: 10372-41-5.mol

Synonyms:10372-41-5;3-amino-N,N-diethylbenzenesulfonamide;n,n-diethyl 3-aminobenzenesulfonamide;3-Amino-N,N-diethyl-benzenesulfonamide;Benzenesulfonamide,3-amino-N,N-diethyl-;3-AMINO-N,N-DIETHYLBENZENE-1-SULFONAMIDE;MFCD02720457;SCHEMBL2480051;DTXSID90387993;CTBWWPIIRKWDDL-UHFFFAOYSA-N;AC2780;N,N-Diethyl-3-aminobenzenesulfonamide;AKOS000115602;AB12678;N,N-diethyl-3-(amino)benzenesulfonamide;3-amino-n , n-diethyl-benzenesulfonamide;LS-08366;SY026525;CS-0152024;FT-0636692;EN300-02112;A896371;Z56792389

Chemical Property of 3-amino-N,N-diethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 3.08E-06mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 388.4 °C at 760 mmHg
• Flash Point: 188.7 °C
• PSA: 71.78000
• Density: 1.199 g/cm³
• LogP: 2.96130
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.09324893
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

98%,99%, ^*data from raw suppliers

N,N-Diethyl 3-aminobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N
• Uses: 3-Amino-N,N-dimethylbenzenesulfonamide exhibits anticonvulsant activity in epileptic conditions. A useful pharmaceutical and research intermediate.

Technology Process of 3-amino-N,N-diethylbenzenesulfonamide

There total 4 articles about 3-amino-N,N-diethylbenzenesulfonamide 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: 89.0%

3-nitro-benzenesulfonic acid diethylamide (6335-26-8) → 3-amino-N,N-diethylbenzenesulfonamide (10372-41-5)

Guidance literature:

With lithium aluminium tetrahydride; titanium tetrachloride; In diethyl ether; at 20 ℃; for 0.416667h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.07.089

Reference yield:

3-nitro-benzenesulfonic acid diethylamide (6335-26-8) + diethylamine (109-89-7) + 3-nitrobenzenesulphonyl chloride (121-51-7) → 3-amino-N,N-diethylbenzenesulfonamide (10372-41-5)

Guidance literature:

With hydrogenchloride; sodium hydroxide; iron; In pyridine; methanol; dichloromethane;

Reference yield:

→ 3-amino-N,N-diethylbenzenesulfonamide (10372-41-5)

Guidance literature:

With ethanol; nickel; Hydrogenation;

DOI:10.1021/ja01210a039

upstream raw materials:

3-nitro-benzenesulfonic acid diethylamide

diethylamine

3-nitrobenzenesulphonyl chloride

Downstream raw materials:

C₁₆H₂₂N₄O₃S

6-tert-Butyl-8-isocyanato-4-oxo-4H-chromene-2-carboxylic acid (3-diethylsulfamoyl-phenyl)-amide

C₁₇H₂₀N₂O₃S₂

C₁₇H₁₈N₂O₃S₂

Refernces

• 1、 -. "Herbicidally active phenoxyalkanecarboxylic acid derivatives". . . Retrieved 2008/06/13.