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CAS No.: | 146374-27-8 |
---|---|
Name: | tert-Butanesulfinamide |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C4H11NOS |
Molecular Weight: | 121.203 |
Synonyms: | tert-Butylsulfinamide;2-Methyl-2-propanesulfinamide;1,1-Dimethylethyl sulfinamide; |
EINECS: | 1312995-182-4 |
Density: | 1.124 g/cm3 |
Melting Point: | 97-101 °C |
Boiling Point: | 220 °C at 760 mmHg |
Flash Point: | 86.8 °C |
PSA: | 62.30000 |
LogP: | 1.97330 |
tert-butylsulfinyl chloride
S-tert-butylsulfinimide
Conditions | Yield |
---|---|
With ammonium hydroxide aminolysis; | 98% |
With ammonia In 1,4-dioxane | 71% |
With ammonium hydroxide In tetrahydrofuran; ethyl acetate at 0 - 20℃; for 0.5h; Inert atmosphere; | 71% |
B
S-tert-butylsulfinimide
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride; phosphorus pentoxide In diethyl ether at 25℃; for 0.5h; aza-Mannich condensation; | A 50% B n/a |
2-methylpropan-2-thiol
S-tert-butylsulfinimide
Conditions | Yield |
---|---|
With methanol; [2,2]bipyridinyl; O-pivaloylhydroxylamine trifluoromethanesulfonate salt; iron(II) chloride In dichloromethane at 25℃; for 16h; Sealed tube; | 50% |
C12H17NOS
A
1-Phenylethanol
B
(R)-1-phenyl-ethyl-amine
C
S-tert-butylsulfinimide
D
acetophenone
Conditions | Yield |
---|---|
Stage #1: C12H17NOS With [RhCl2(p-cymene)]2; (1R,2S)-2-Amino-1,2-diphenylethanol; potassium hydroxide In isopropyl alcohol at 25℃; for 24h; Stage #2: With hydrogenchloride In methanol optical yield given as %ee; stereoselective reaction; | A n/a B 41% C n/a D n/a |
C
S-tert-butylsulfinimide
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride; phosphorus pentoxide In diethyl ether at 25℃; for 0.5h; Aza-Mannich condensation; Title compound not separated from byproducts; |
C
S-tert-butylsulfinimide
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride; phosphorus pentoxide In diethyl ether at 25℃; for 0.5h; aza-Mannich condensation; Title compound not separated from byproducts; |
C
S-tert-butylsulfinimide
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride; phosphorus pentoxide In diethyl ether at 25℃; for 0.5h; Aza-Mannich condensation; Title compound not separated from byproducts; |
C
S-tert-butylsulfinimide
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride; phosphorus pentoxide In diethyl ether at 25℃; for 0.5h; aza-Mannich condensation; Title compound not separated from byproducts; |
C12H17NOS
A
1-Phenylethanol
B
(S)-1-phenyl-ethylamine
C
(R)-1-phenyl-ethyl-amine
D
S-tert-butylsulfinimide
E
acetophenone
Conditions | Yield |
---|---|
Stage #1: C12H17NOS With [RhCl2(p-cymene)]2; ethanolamine; potassium hydroxide In isopropyl alcohol at 25℃; for 15h; Stage #2: With hydrogenchloride In methanol optical yield given as %ee; stereoselective reaction; |
Conditions | Yield |
---|---|
With [RhCl2(p-cymene)]2; ethanolamine; potassium hydroxide In isopropyl alcohol at 25℃; for 6h; |
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Systematic Name: 2-Methylpropane-2-sulfinamide
Synonyms of (S)-tert-Butanesulfinamide (CAS NO.146374-27-8): 2-Methylpropane-2-sulfinamide ; S-(-)-2-Methyl-2-propanesulfinamide
CAS NO: 146374-27-8
Molecular Formula: C4H11NOS
Molecular Weight: 121.2012
Molecular Structure:
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 39.52 Å2
Index of Refraction: 1.523
Molar Refractivity: 32.94 cm3
Molar Volume: 107.7 cm3
Surface Tension: 49.8 dyne/cm
Density: 1.124 g/cm3
Flash Point: 86.8 °C
Enthalpy of Vaporization: 45.64 kJ/mol
Boiling Point: 220 °C at 760 mmHg
Vapour Pressure: 0.116 mmHg at 25°C
Melting Point: 97-101 °C(lit.)
Appearance: white to light yellow crystal powder
SMILES: O=S(N)C(C)(C)C Copy
InChI: InChI=1/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m0/s1 Copy
InChIKey: CESUXLKAADQNTB-ZETCQYMHBT
Std. InChI: InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3/t7-/m0/s1 Copy Std. InChIKey: CESUXLKAADQNTB-ZETCQYMHSA-N
Product Categories of (S)-tert-Butanesulfinamide (CAS NO.146374-27-8): Sulphur Derivatives;API intermediates;CHIRAL CHEMICALS;Organic Building Blocks;Sulfonamides/Sulfinamides;Sulfur Compounds
WGK Germany: 3