Molecular Formula | C4H11NOS |
Molar Mass | 121.2 |
Density | 1.124 |
Melting Point | 97-101°C(lit.) |
Boling Point | 220.0±23.0 °C(Predicted) |
Specific Rotation(α) | -4.5 º (c=1, CHCl3) |
Flash Point | 75.1°C |
Solubility | Chloroform (Slightly), Methanol (Slightly) |
Vapor Presure | 0.322mmHg at 25°C |
Appearance | Solid |
Color | White |
pKa | 10.11±0.50(Predicted) |
Storage Condition | 2-8°C |
Stability | store cold |
Refractive Index | 1.493 |
MDL | MFCD05861480 |
Physical and Chemical Properties | Melting point 97-101°C specific optical rotation -4.5 ° (c = 1, CHCl3) |
Use | Reagents for the synthesis of chiral amines. Asymmetric preparation of trifluoroethylamine as a chiral additive, the reaction first converts trifluoroacetaldehyde into chiral imine, and then performs aryl lithium treatment and acidic methanol decomposition. It is easy to undergo condensation reactions with aldehydes and ketones and is converted into P,N-sulfinimide ligands, which can participate in the iridium-catalyzed asymmetric hydrogenation of olefins. |
Risk Codes | R11 - Highly Flammable R19 - May form explosive peroxides R36/37 - Irritating to eyes and respiratory system. R40 - Limited evidence of a carcinogenic effect |
Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
TSCA | No |
HS Code | 29309090 |
Hazard Note | Irritant/Keep Cold |
Uses | S-tert-butyl sulfinamide is a chiral ligand for pharmaceutical compositions. S-tert-butyl sulfinamide is condensed with aldehydes and ketones to synthesize P, n-sulfoxylate ligands, and can be asymmetrically hydrogenated to olefins under iridium catalysis. Reagents used to synthesize chiral amines. Chiral additives for asymmetric preparation of trifluoroethylamine, the reaction first converts trifluoroacetaldehyde into chiral imine, and then performs aryl lithium treatment and acidic methanol decomposition. It is easy to undergo condensation reaction with aldehydes and ketones and convert into P,N-sulfinimide ligands, which can participate in the iridium-catalyzed asymmetric hydrogenation of olefins. Chiral additives for asymmetric preparation of trifluoroethylamine, the reaction first converts trifluoroacetaldehyde into chiral imine, and then performs aryl lithium treatment and acidic methanol decomposition. |
introduction | tert-butyl sulfinamide is a new type of pharmaceutical intermediate developed in recent years, and is also a key chiral source for the synthesis of chiral amine drugs and their intermediates. |
application | S-tert-butyl sulfinamide can be used as experimental reagent, high-priced chiral amine synthesis, chiral ligand and enzyme inhibitor in the process of organic synthesis and chemical medicine research and development. |