4-tert-Butylbenzenesulfonamide supplier

Name
4-tert-Butylbenzenesulfonamide
EINECS 613-109-9
CAS No. 6292-59-7
Article Data17
CAS DataBase
Density 1.152 g/cm³
Solubility
Melting Point 136-138 °C
Formula C₁₀H₁₅NO₂S
Boiling Point 337.2 °C at 760 mmHg
Molecular Weight 213.301
Flash Point 157.7 °C
Transport Information
Appearance white solid
Safety 22-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenesulfonamide,p-tert-butyl- (6CI,8CI);4-(1,1-Dimethylethyl)benzenesulfonamide;NSC 9911;p-(tert-Butyl)phenylsulfonamide;p-tert-Butylbenzenesulfonamide;
PSA 68.54000
LogP 3.41260

Synthetic route

: 15084-51-2
4-tert-butylbenzenesulfonyl chloride

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
With ammonium hydroxide for 72h; Ambient temperature;	99%
With ammonium hydroxide In ethyl acetate at 20℃; for 1h;	95%
With ammonium hydroxide In acetone at 20℃;	94%

: 4,N-di-tert-butyl-benzenesulfonamide

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In nitromethane at 50℃; for 5h;	96%

: 5636-16-8
4-tert-Butyl-N-isopropyl-benzenesulfonamide

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
With chromium(III) acetate hydroxide; periodic acid In acetonitrile at 20℃; for 14h;	94%

: 52436-75-6
(4-tert-butylphenyl)diazonium tetrafluoroborate

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
With sodium metabisulfite; sodium azide; tetrabutylammomium bromide; triphenylphosphine In water; acetonitrile at 80℃; for 12h; Inert atmosphere;	84%
With sodium metabisulfite; sodium azide; tetrabutylammomium bromide; triphenylphosphine In water; acetonitrile at 80℃; for 12h; Inert atmosphere; Schlenk technique;	84%

: 4-(tert-butyl)-N,N-diethylbenzenesulfonamide

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
With chromium(III) acetate hydroxide; periodic acid In acetonitrile at 20℃; for 16h;	81%

: 2396-68-1
4-t-butylbenzenethiol

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; ammonium carbamate In methanol at 25℃; for 24h; Inert atmosphere; chemoselective reaction;	80%

: potassium tert-butyltrifluoroboranuide

: 701-34-8
4-bromo-benzenesulfonic acid amide

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; nickel(II) bis(2,2,6,6-tetramethylheptane-3,5-dionate); Ir(dF(CF3)ppy)2(bpy)PF6; zinc dibromide In N,N-dimethyl acetamide at 27℃; for 72h; Inert atmosphere; Irradiation;	44%

1-tert-butyl-benzene-sulfonyl chloride-(4): 1-tert-butyl-benzene-sulfonyl chloride-(4)

ammonium carbonate: ammonium carbonate

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 253185-03-4, 253185-04-5
tert-butylbenzene

: 6292-59-7
4-tert-butylbenzenesulphonamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: chlorosulfonic acid / 6 h / Reflux 2: ethanol / 1 h / 0 °C View Scheme

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 150728-13-5
4,6-dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine

: 150727-06-3
4-tert-butyl-N-(6-chloro-5-(2-methoxyphenoxy)2,2'-bipyrimidin-4-yl)benzene sulfonamide

Conditions

Conditions	Yield
Stage #1: 4-tert-butylbenzenesulphonamide; 4,6-dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine With potassium carbonate In acetonitrile at 25 - 83℃; Large scale reaction; Stage #2: Large scale reaction;	100%
With potassium carbonate In dimethyl sulfoxide at 100 - 105℃;	100%
Stage #1: 4-tert-butylbenzenesulphonamide With potassium carbonate In toluene at 50℃; for 0.5h; Large scale; Stage #2: 4,6-dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine With tetrabutylammomium bromide In toluene at 110℃; for 10h; Large scale;	97%

: 1177447-87-8
4-(2-tert-butoxyethoxy)-5-(2-methoxyphenoxy)-6-chloro-2,2'-bipyrimidine

: 6292-59-7
4-tert-butylbenzenesulphonamide

: N-[6-[2-(1,1-dimethylethoxy)ethoxy]-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 120℃; for 10h;	100%

: 14425-64-0
4-methoxyphenethyl bromide

: 6292-59-7
4-tert-butylbenzenesulphonamide

: C19H22O3S

Conditions

Conditions	Yield
With aluminum (III) chloride; trifluorormethanesulfonic acid; niobium pentachloride; bis-[(trifluoroacetoxy)iodo]benzene; zinc(II) iodide In N,N-dimethyl acetamide at 75℃; for 2.5h; Solvent; Reagent/catalyst;	97.3%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 4-tert-butylbenzenesulfonamide monosodium salt

Conditions

Conditions	Yield
With sodium ethanolate for 2h; Heating;	97%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 1268612-27-6
C15H11ClN4O3

: 150727-06-3
4-tert-butyl-N-(6-chloro-5-(2-methoxyphenoxy)2,2'-bipyrimidin-4-yl)benzene sulfonamide

Conditions

Conditions	Yield
Stage #1: 4-tert-butylbenzenesulphonamide With potassium carbonate In toluene at 50℃; for 0.5h; Large scale; Stage #2: C15H11ClN4O3 In toluene at 110℃; for 10h; Large scale;	97%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 150728-13-5
4,6-dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine

: 4-tert-butyl-N-[6-chloro-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzene sulfonamide potassium salt

Conditions

Conditions	Yield
Stage #1: 4,6-dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine With potassium carbonate for 0.25h; Stage #2: 4-tert-butylbenzenesulphonamide at 140℃; for 3h; Solvent; Temperature; Time;	96.2%
Stage #1: 4-tert-butylbenzenesulphonamide With potassium hydroxide In acetone at 30℃; for 0.0833333h; Stage #2: 4,6-dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine In acetone at 30℃; for 6.5h; Product distribution / selectivity; Reflux;	89%
With tetrabutylammomium bromide; potassium carbonate In toluene for 10h; Reflux;	87.7%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 1089215-18-8
4-tert-butylbenzenesulfonamide-d2

Conditions

Conditions	Yield
With water-d2 In diethyl ether	96%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 100-52-7
benzaldehyde

: N-benzylidene-4-(tert-butyl)benzenesulfonamide

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In benzene for 12h; Reflux;	95%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 150728-13-5
4,6-dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine

: 4-(tert-butyl)-N-(6-chloro-5-(2-methoxyphenoxy)-(2,2'-bipyrimidine)-4-yl)benzenesulfonamide sodium salt

Conditions

Conditions	Yield
With sodium carbonate In dimethyl sulfoxide at 70 - 80℃; for 10h; Reagent/catalyst; Solvent; Temperature;	95%

: 4641-57-0
1-phenylpyrrolidin-2-one

: 6292-59-7
4-tert-butylbenzenesulphonamide

: (E)-4-(tert-butyl)-N-(1-phenylpyrrolidin-2-ylidene)benzenesulfonamide

Conditions

Conditions	Yield
With diazoacetic acid ethyl ester; zinc trifluoromethanesulfonate In cyclohexane for 12h; Reflux; stereoselective reaction;	94%

: 626-67-5
N-methylcyclohexylamine

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 4-(tert-butyl)-N-(piperidin-1-ylmethylene)benzenesulfonamide

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In ethanol at 20℃; for 12h; Electrochemical reaction; Inert atmosphere; regioselective reaction;	94%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 5720-05-8
4-methylphenylboronic acid

: 100-52-7
benzaldehyde

: (R)-4-(tert-butyl)-N-(phenyl(p-tolyl)methyl)benzenesulfonamide

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; (S,S)-4,4′-diisopropyl-4,5,4′,5′-tetrahydro[2.2]bioxazolyl In nitromethane at 40℃; for 64h; enantioselective reaction;	93%

...Expand

: 1160515-46-7
2-(5-(2-methoxy-phenoxy)-6-chloro-2-(pyrimidin-2-yl)pyrimidin-4-yloxy)ethanol acetyl ester

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 1160515-53-6
2-[6-(4-tert-butyl-benzenesulfonylamino)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yloxy]-ethanol acetyl ester

Conditions

Conditions	Yield
Stage #1: 4-tert-butylbenzenesulphonamide With potassium phosphate In N,N-dimethyl acetamide at 75 - 80℃; for 0.5h; Stage #2: 2-(5-(2-methoxy-phenoxy)-6-chloro-2-(pyrimidin-2-yl)pyrimidin-4-yloxy)ethanol acetyl ester In N,N-dimethyl acetamide at 65 - 70℃; for 96h; Product distribution / selectivity;	92%
Stage #1: 4-tert-butylbenzenesulphonamide With potassium carbonate In N,N-dimethyl acetamide; acetonitrile at 75 - 80℃; for 0.5h; Stage #2: 2-(5-(2-methoxy-phenoxy)-6-chloro-2-(pyrimidin-2-yl)pyrimidin-4-yloxy)ethanol acetyl ester In N,N-dimethyl acetamide; acetonitrile at 65 - 70℃; for 96h; Product distribution / selectivity;	75%
Stage #1: 4-tert-butylbenzenesulphonamide With potassium carbonate In dimethyl sulfoxide at 75 - 80℃; for 0.5h; Stage #2: 2-(5-(2-methoxy-phenoxy)-6-chloro-2-(pyrimidin-2-yl)pyrimidin-4-yloxy)ethanol acetyl ester In dimethyl sulfoxide at 65 - 70℃; for 96h; Product distribution / selectivity;	60%
Stage #1: 4-tert-butylbenzenesulphonamide With potassium phosphate In N,N-dimethyl acetamide at 75 - 80℃; for 0.5h; Stage #2: 2-(5-(2-methoxy-phenoxy)-6-chloro-2-(pyrimidin-2-yl)pyrimidin-4-yloxy)ethanol acetyl ester In ISOPROPYLAMIDE at 65 - 70℃; for 96h; Product distribution / selectivity;

: 623-73-4
diazoacetic acid ethyl ester

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 75-05-8
acetonitrile

: diethyl 2,2'-((1-(((4-(tert-butyl)phenyl)sulfonyl)imino)ethyl)azanediyl)(E)-diacetate

Conditions

Conditions	Yield
With copper(II) bis(trifluoromethanesulfonate) at 80℃; for 2h;	92%

...Expand

: 623-73-4
diazoacetic acid ethyl ester

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 75-05-8
acetonitrile

: C20H30N2O6S

Conditions

Conditions	Yield
With copper(II) bis(trifluoromethanesulfonate) at 80℃; for 2h;	92%

...Expand

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: (E)-N'-(4-tert-butylphenylsulfonyl)-N,N-dimethylformimidamide

Conditions

Conditions	Yield
With thionyl chloride In chloroform at 60℃; for 3h;	91%

: 611-32-5
8-methylquinoline

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 4-(tert-butyl)-N-(quinolin-8-ylmethyl)benzenesulfonamide

Conditions

Conditions	Yield
With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; [bis(acetoxy)iodo]benzene; sodium acetate In dichloromethane at 20℃; for 48h; Inert atmosphere; Schlenk technique;	89%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: C34H62O6Si

: C44H75NO7SSi

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 3h;	87%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: C36H68O4Si2

: C46H81NO5SSi2

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 3h;	87%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 104-12-1
p-chlorphenylisocyanate

: 128924-62-9
C17H19ClN2O3S

Conditions

Conditions	Yield
With sodium hydroxide In acetone	86%

: 177593-36-1
(4,4'-di-tert-butyl-2,2'-bipyridine)bis(trifluoromethanesulfonate)platinum(II)

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 2797-28-6
lithium tetrakis(pentafluorophenyl)borate

: [(t-Bu2-2,2'-bipyridyl)Pt(μ-NHSO2C6H4Bu-t)]2[B(C6F5)4]2

Conditions

Conditions	Yield
In dichloromethane under inert atm. to Pt complex soln. ligand and excess Li(B(C6F5)4) in CH2Cl2 was added, mixt. was stirred at room temp. for 1 h; mixt. was filtered, evapd., solid was washed 3 times with ether, dried under vac. for 4 h; elem. anal.;	86%

...Expand

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 108-94-1
cyclohexanone

: 4-(tert-butyl)-N-phenylbenzenesulfonamide

Conditions

Conditions	Yield
With 1,10-Phenanthroline; palladium(II) trifluoroacetate; oxygen In toluene at 140℃; for 40h;	86%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 374600-17-6
4,6-dichloro-5-(2-methoxyphenyl)thiopyrimidine

: 167403-91-0
4-tert-butyl-N-(6-chloro-5-(2-methoxyphenyl)thio-4-pyrimidinyl)benzenesulfonamide

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 80℃; for 1h;	85%

: 110-91-8
morpholine

: 6292-59-7
4-tert-butylbenzenesulphonamide

: (E)-4-(tert-butyl)-N-(morpholinomethylene)benzenesulfonamide

Conditions

Conditions	Yield
With copper(I) bromide In dimethyl sulfoxide at 100℃; for 24h; Schlenk technique; stereoselective reaction;	85%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 20972-43-4, 21650-65-7, 495-48-7
trans-azoxybenzene

: (Z)-1-{2-[4-(tert-butyl)phenylsulfonamido]phenyl}-2-phenyldiazene oxide

Conditions

Conditions	Yield
With silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; [bis(acetoxy)iodo]benzene In 1,2-dichloro-ethane at 80℃; for 16h; regioselective reaction;	84%

: 6292-59-7
4-tert-butylbenzenesulphonamide

: 4-(tert-butyl)benzene-1-sulfonyl fluoride

Conditions

Conditions	Yield
With potassium fluoride; pyrylium tetrafluoroborate; magnesium chloride In acetonitrile at 60℃; for 2h;	84%

4-tert-Butylbenzenesulfonamide Chemical Properties

Molecular Structure:

Molecular Formula: C₁₀H₁₅NO₂S
Molecular Weight: 213.2966
IUPAC Name: 4-tert-Butylbenzenesulfonamide
Synonyms of 4-tert-Butylbenzenesulfonamide (CAS NO.6292-59-7): Buttpark 44\03-78 ; 4-(tert-Butyl)benzene-1-sulfonamide ; p-tert-Butyl-benzenesulfonamide ; TertiaryButylBenzeneSulphonamide ; 4-(1,1-Dimethylethyl)benzenesulfonamide
CAS NO: 6292-59-7
Melting point: 136-138 ° C
Index of Refraction: 1.536
Molar Refractivity: 57.71 cm³
Molar Volume: 185 cm³
Surface Tension: 40.8 dyne/cm
Density: 1.152 g/cm³
Flash Point: 157.7 °C
Enthalpy of Vaporization: 58.04 kJ/mol
Boiling Point: 337.2 °C at 760 mmHg
Vapour Pressure: 0.000107 mmHg at 25°C

4-tert-Butylbenzenesulfonamide Uses

4-tert-Butylbenzenesulfonamide (CAS NO.6292-59-7) is used as an intermediate for bosentan.

4-tert-Butylbenzenesulfonamide Safety Profile

Safety Information of 4-tert-Butylbenzenesulfonamide (CAS NO.6292-59-7):
Hazard Codes:Xi
Risk Statements:20/21/22
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:22-36/37/39
22:Do not breathe dust
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
Hazard Note:Irritant

Product Name

4-tert-Butylbenzenesulfonamide

Synthetic route

4-tert-Butylbenzenesulfonamide Chemical Properties

4-tert-Butylbenzenesulfonamide Uses

4-tert-Butylbenzenesulfonamide Safety Profile

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