ChemicalBook--->CAS DataBase List--->34813-49-5

34813-49-5

34813-49-5 Structure

34813-49-5 Structure
IdentificationMore
[Name]

TERT-BUTYLSULFONAMIDE
[CAS]

34813-49-5
[Synonyms]

TERT-BUTYLSULFONAMIDE
TERT-BUTYLSULPHONAMIDE
tert-Butylsulfonamide 98%
tert-Butylsulfonamide >
tert-Butylsulfonamide
2-Methylpropane-2-sulfonaMide
2-Propanesulfonamide, 2-methyl-
2-METHYL-PROPANE-2-SULFONIC ACID AMIDE
TERT-BUTYLSULFONAMIDE ISO 9001:2015 REACH
[Molecular Formula]

C4H11NO2S
[MDL Number]

MFCD02179404
[Molecular Weight]

137.2
[MOL File]

34813-49-5.mol
Chemical PropertiesBack Directory
[Melting point ]

166.0 to 170.0 °C
[Boiling point ]

223.1±23.0 °C(Predicted)
[density ]

1.149±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

10.93±0.60(Predicted)
[color ]

White to Almost white
[InChI]

1S/C4H11NO2S/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)
[InChIKey]

GWJSQKNYHPYZRN-UHFFFAOYSA-N
[SMILES]

CC(C)(C)S(N)(=O)=O
[CAS DataBase Reference]

34813-49-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[Hazard Codes ]

Xn
[Risk Statements ]

22
[HS Code ]

2935909099
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

TERT-BUTYLSULFONAMIDE(34813-49-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Methyl-2-propanesulfonyl chloride

10490-22-9

TERT-BUTYLSULFONAMIDE

34813-49-5

The general procedure for the synthesis of tert-butylsulfonamide from tert-butylsulfonyl chloride is as follows: ammonia was vented into a solution of tetrahydrofuran (THF, 5 mL) containing tert-butylsulfonyl chloride (500 mg, 3.2 mmol) at -50 °C for 15 min. Subsequently, the reaction mixture was warmed to 20-35 °C and the reaction was continued with stirring for 16 hours. Upon completion of the reaction, the resulting solid precipitate was collected by filtration. The filtrate was concentrated under reduced pressure to give 350 mg of tert-butylsulfonamide. The product was characterized by 1H NMR (400 MHz, DMSO-d6) with chemical shifts of δ 6.71 (2H, broad peak) and 1.38 (9H, single peak).

[References]

[1] Patent: WO2013/88256, 2013, A1. Location in patent: Page/Page column 62
[2] Patent: US2014/371217, 2014, A1. Location in patent: Paragraph 0581
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