3-amino-N-(tert-butyl)benzenesulfonamide

Base Information

• Chemical Name: 3-amino-N-(tert-butyl)benzenesulfonamide
• CAS No.: 608523-94-0
• Molecular Formula: C₁₀H₁₆N₂O₂S
• Molecular Weight: 228.315
• Hs Code.: 2935009090
• European Community (EC) Number: 692-504-8
• DSSTox Substance ID: DTXSID30390320
• Wikidata: Q72442162
• Mol file: 608523-94-0.mol

Synonyms:608523-94-0;3-amino-N-(tert-butyl)benzenesulfonamide;N-TERT-BUTYL 3-AMINOPHENYLSULFONAMIDE;3-amino-N-tert-butylbenzenesulfonamide;N-t-Butyl 3-aminobenzenesulfonamide;3-Amino-N-tert-butyl-benzenesulfonamide;Benzenesulfonamide, 3-amino-N-(1,1-dimethylethyl)-;MFCD06660528;3-AMINO-N-T-BUTYLBENZENESULFONAMIDE;3-AMINO-N-TERT-BUTYLBENZENE-1-SULFONAMIDE;N-tert-Butyl3-Aminophenylsulfonamide;SCHEMBL2018411;AMY7185;DTXSID30390320;KLQVFEHOLLUULE-UHFFFAOYSA-N;AKOS000117812;amino-N-(tert-butyl)benzenesulfonamide;AB26745;AS-31149;SY002394;CS-0059260;FT-0677769;EN300-11771;3-amino-N-(1,1-dimethylethyl)benzenesulfonamide;A868871;Z99600238

Chemical Property of 3-amino-N-(tert-butyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 3.33E-06mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 387.3 °C at 760 mmHg
• PKA: 12.23±0.50(Predicted)
• Flash Point: 188 °C
• PSA: 80.57000
• Density: 1.189 g/cm³
• LogP: 3.39850
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 228.09324893
• Heavy Atom Count: 15
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-N-(Tertbutylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)N
• Uses: 3-Amino-N-(Tertbutylbenzenesulfonamide can be used USP30 inhibitors.

Technology Process of 3-amino-N-(tert-butyl)benzenesulfonamide

There total 2 articles about 3-amino-N-(tert-butyl)benzenesulfonamide 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: 95.79%

N-(dimethylethyl)-3-nitrobenzenesulfonamide → 3-amino-N-(dimethylethyl)benzenesulfonamide (608523-94-0)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 85 ℃; Inert atmosphere;

Reference yield:

3-nitrobenzenesulphonyl chloride (121-51-7) → 3-amino-N-(dimethylethyl)benzenesulfonamide (608523-94-0)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 0.5 h / 20 °C

2: palladium 10% on activated carbon; hydrazine hydrate / ethanol / 3 h / Inert atmosphere; Reflux

With palladium 10% on activated carbon; hydrazine hydrate; In tetrahydrofuran; ethanol;

Reference yield: 90.0%

3,5-dichloropyrazine-2-carboxylic acid (312736-49-5) + 3-amino-N-(dimethylethyl)benzenesulfonamide (608523-94-0) → N-(3-(N-(tert-butyl)sulfamoyl)phenyl)-3,5-dichloropyrazine-2-carboxamide

Guidance literature:

With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride; In N,N-dimethyl-formamide; at 20 ℃; for 24h; under 760.051 Torr;

upstream raw materials:

3-nitrobenzenesulphonyl chloride

Downstream raw materials:

N-(tert-butyl)-3-((2-chloro-5-methylpyrimidin-4-yl)amino)benzenesulfonamide

3-methyl-N-(3-sulfamoylphenyl)-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide

N-(3-(tert-butylsulfamoyl)phenyl)-3-methyl-L-valyl-(4R)-4-((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-L-prolinamide

Refernces

• 1、 -. "USP30 INHIBITORS AND USES THEREOF". Paragraph 00549; 00551-00552. . Retrieved 2021/03/19.
• 2、 -. "POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS". Page/Page column 122; 124. . Retrieved 2016/04/26.