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196929-78-9

196929-78-9 Structure

196929-78-9 Structure
IdentificationMore
[Name]

(R)-(+)-2-Methyl-2-propanesulfinamide
[CAS]

196929-78-9
[Synonyms]

(R)-(+)-2-METHYL-2-PROPANESULFINAMIDE
(R)-2-METHYL-2-PROPANESULFINAMIDE
(R)-2-METHYLPROPANE-2-SULFINAMIDE
(R)-(+)-2-METHYL-PROPANE-2-SULFINIC ACID AMIDE
(R)-(+)-T-BUTANESULFINAMIDE
(R)-(+)-T-BUTYLMETHYLSULFINAMIDE
(R)-(+)-T-BUTYLSULFINAMIDE
(R)-(+)-TERT-BUTANESULFINAMIDE
(R)-TERT-BUTANESULFINAMIDE
(R)-(+)-TERT-BUTYLSULFINAMIDE
(R)-(+)-TERT-BUTYL SULPHINAMIDE
R-(+)-Tert-Butansulfinamide
(R)-(+)-t-Butylmethylsulfinamide,min.97%
(R)-(+)-tert-Butyl sulphinamide 98%
(R)-(+)-t-Butyl sulfinamide, 98% ee
(R)-TERT-BUTANESULFINAMIDE/(R)-(+)-2-METHYL-2-PROPANESULFINAMIDE
(R)-(+)-2-METHYL-2-PROPANESULFINAMIDE, 98+%
(R)-(+)-2-Methylpropane-2-sulphinamide
(R)-N-tert-Butanesulfinamide
(R)-(+)-t-Butylmethylsulfinamide, min. 97%
[EINECS(EC#)]

676-338-3
[Molecular Formula]

C4H11NOS
[MDL Number]

MFCD05861479
[Molecular Weight]

121.2
[MOL File]

196929-78-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

103-107 °C(lit.)
[alpha ]

4 º (c=1, CHCl3 + amylenes)
[Boiling point ]

220.0±23.0 °C(Predicted)
[density ]

0.903 g/mL at 25 °C
[refractive index ]

4 ° (C=1, CHCl3)
[Fp ]

-17℃
[storage temp. ]

Keep Cold
[solubility ]

Soluble in chloroform, methanol, tetrahydrofuran, dichloromethane, dimethyl sulfoxide and most organic solvents.
[form ]

Powder
[pka]

10.11±0.50(Predicted)
[color ]

White, light pink, light yellow to brown
[optical activity]

[α]22/D +1.0°, c = 0.5% in chloroform
[Usage]

Chiral ligand used in pharmaceutical compositions
[Stability:]

store cold
[InChIKey]

CESUXLKAADQNTB-SSDOTTSWSA-N
[CAS DataBase Reference]

196929-78-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

11-19-36/37-40-36/37/38
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2056 3 / PGII
[WGK Germany ]

3
[Hazard Note ]

Irritant/Keep Cold
[TSCA ]

No
[HS Code ]

29309099
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Sulfuric acid-->Tetrahydrofuran-->Dichloromethane-->Thionyl chloride-->PETROLEUM ETHER-->Potassium carbonate-->Sodium sulfate-->Triethylamine-->Ammonia-->Hydrogen peroxide-->Palladium-->Ammonium chloride-->Magnesium-->Sulfur dioxide-->Lithium-->2-Chloro-2-methylpropane-->L-1-Phenylethylamine-->Vanadyl acetylacetonate-->(R)-(+)-1-Phenylethylamine-->Ferric nitrate-->3,5-Di-tert-butylsalicylaldehyde-->(S)-TERT-LEUCINOL-->Di-tert-butyl disulfide
Hazard InformationBack Directory
[Chemical Properties]

(R)-(+)-2-Methyl-2-propanesulfinamide is white to light yellow crystal powde
[Uses]

Chiral ligand used in pharmaceutical compositions
[Uses]

suzuki reaction, useful reagent for synthesizing chiral amines.
[Preparation]

Acetic acid (70 g), R-tert-butylsulfinylhydrazine (42 g), zinc powder (60.5 g) and dichloromethane (150 mL) were added to the reaction flask. The temperature was slowly heated to 35-42 °C . After 16 hours, the filtrate was poured into 70 mL water. Dichloromethane (75 g×5) was added for extraction. Collected the organic phase, added 48% NaOH to adjust ρΗ (7-8). Then added NaCl, the layers were separated and the organic phase was washed with 15 g saturated aqueous solution of sodium chloride. The solution was dried over magnesium sulfate. After filterED, filtrate was concentrated under reduced pressure at 25-30 °C until no slipping. N-heptane was replaced, 28 g mixed solvent of N-heptane and toluene (N-heptane: toluene = 6:1) were added to perform beating at low temperature, filtered to obtain (R)-(+)-2-Methyl-2-propanesulfinamide. Yield=83%
(R)-( )-2-Methyl-2-propanesulfinamide
[References]

[1] Qian X, et al. A stereoselective synthesis of (S)-2-(((3-fluoro-4-methylphenoxy)carbonyl)(1-(4-((5-methyl-2-phenyloxazol-4-yl)methoxy)phenyl)ethyl)amino)acetic acid, a highly potent PPAR α/γ dual agonist. Tetrahedron, 2015; 71: 9408-9414.
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-(+)-2-Methyl-2-propanesulfinamide(196929-78-9)1HNMR
(R)-(+)-2-Methyl-2-propanesulfinamide(196929-78-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

(R)-(+)-2-Methyl-2-propanesulfinamide, 98%(196929-78-9)
[Sigma Aldrich]

196929-78-9(sigmaaldrich)
[TCI AMERICA]

(R)-(+)-tert-Butylsulfinamide,>98.0%(GC)(196929-78-9)
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