4-amino-N-tert-butylbenzenesulfonamide

Base Information

• Chemical Name: 4-amino-N-tert-butylbenzenesulfonamide
• CAS No.: 209917-48-6
• Molecular Formula: C10H16N2O2S
• Molecular Weight: 228.315
• Hs Code.: 2935009090
• European Community (EC) Number: 687-656-7
• DSSTox Substance ID: DTXSID90356780
• Wikidata: Q72510676
• Mol file: 209917-48-6.mol

Synonyms:209917-48-6;N-tert-Butyl 4-Aminophenylsulfonamide;4-amino-N-tert-butylbenzenesulfonamide;4-amino-N-(tert-butyl)benzenesulfonamide;N-t-Butyl 4-aminophenylsulfonamide;Benzenesulfonamide, 4-amino-N-(1,1-dimethylethyl)-;4-amino-N-tert-butyl-benzenesulfonamide;MFCD03002128;N-tert-Butyl-4-aminobenzenesulfonamide;N-tert-Butyl4-Aminophenylsulfonamide;SCHEMBL2408403;DTXSID90356780;BBL000310;STK123015;AKOS000146505;AC-2589;SB80449;AS-31714;SY002266;4-amino-N-tert-butylbenzene-1-sulfonamide;AM20120642;CS-0154870;FT-0700697;EN300-252676;N-(1,1-Dimethylethyl)-4-aminobenzenesulfonamide;A879314;Z57396920

Chemical Property of 4-amino-N-tert-butylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 8.11E-06mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 374.8 °C at 760 mmHg
• PKA: 12.95±0.50(Predicted)
• Flash Point: 180.5 °C
• PSA: 80.57000
• Density: 1.189 g/cm³
• LogP: 3.39850
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 228.09324893
• Heavy Atom Count: 15
• Complexity: 292

Purity/Quality:

99.9% ^*data from raw suppliers

N-tert-Butyl-4-aminobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N
• Uses: N-tert-Butyl-4-aminobenzenesulfonamide is an synthetic intermediate used in the synthesis of various pharmaceutical goods such as CK2 and PIM kinase inhibitors.

Technology Process of 4-amino-N-tert-butylbenzenesulfonamide

There total 7 articles about 4-amino-N-tert-butylbenzenesulfonamide 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: 98.0%

N-dimethylethyl-4-nitrobenzenesulfonamide (49690-09-7) → 4-amino-N-(dimethylethyl)benzenesulfonamide (209917-48-6)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 48h;

Reference yield: 89.0%

N-(4-(N-(tert-butyl)sulfamoyl)phenyl)acetamide (294885-56-6) → 4-amino-N-(dimethylethyl)benzenesulfonamide (209917-48-6)

Guidance literature:

With potassium hydroxide; In methanol; at 100 ℃; for 4h;

DOI:10.1021/jm030765s

Reference yield:

p-acetylaminobenzenesulfonyl chloride (121-60-8) → 4-amino-N-(dimethylethyl)benzenesulfonamide (209917-48-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 1,2-dimethoxy-ethane / 5 h / Heating

2: 89 percent / aq. KOH / methanol / 4 h / 100 °C

With potassium hydroxide; In methanol; 1,2-dimethoxyethane;

DOI:10.1021/jm030765s

upstream raw materials:

N-(4-(N-(tert-butyl)sulfamoyl)phenyl)acetamide

p-acetylaminobenzenesulfonyl chloride

N-dimethylethyl-4-nitrobenzenesulfonamide

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

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

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

N-(4-(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

4-cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [4-tert-butylsulfamoyl-2-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-amide

Refernces

• 1、 Ilizirov, Yana,Formanovsky, Andrei,Mikhura, Irina,Paitan, Yossi,Nakonechny, Faina,Nisnevitch, Marina. "Effect of photodynamic antibacterial chemotherapy combined with antibiotics on Gram-positive and gram-negative bacteria". . . Retrieved 2018/12/11.
• 2、 -. "BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS". Page/Page column 233; 236. . Retrieved 2017/05/02.