163439-82-5
(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol
CAS: 163439-82-5
Molecular Formula: C11H15NO2
163439-82-5 - Names and Identifiers
| Name | (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol |
| Synonyms | (3R,4R)-1-benzylpyrrolidine-3,4-diol (3R,4R)-1-BENZYL-PYRROLIDINE-3,4-DIOL (3R,4R)-(-)-1-BENZYL-3,4-PYRROLIDINDIOL (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol (3R,4R)-(-)-1-BENZYL-3,4-PYRROLIDINEDIOL (3R,4R)-1-benzyl-3,4-dihydroxy-pyrrolidine (3R,4R)-1-benzyl-3,4-dihydroxypyrrolidinium (3R,4R)-1-(phenylMethyl)-3,4-Pyrrolidinediol |
| CAS | 163439-82-5 |
| InChI | InChI=1/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m1/s1 |
| InChIKey | QJRIUWQPJVPYSO-GHMZBOCLSA-N |
163439-82-5 - Physico-chemical Properties
| Molecular Formula | C11H15NO2 |
| Molar Mass | 193.24 |
| Density | 1.0945 (rough estimate) |
| Melting Point | 94-100°C |
| Boling Point | 329.46°C (rough estimate) |
| Flash Point | 195.1°C |
| Vapor Presure | 1.08E-05mmHg at 25°C |
| Appearance | off-white to light brown powder |
| Color | Off-white to yellow to light brown |
| BRN | 6478637 |
| pKa | 13.99±0.40(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | `sensitive` to CO2 |
| Refractive Index | 1.5041 (estimate) |
| MDL | MFCD01073894 |
163439-82-5 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-34 |
| HS Code | 29339900 |
163439-82-5 - Reference Information
| introduction | (3R,4R)-1-benzylpyrrolidine -3,4-diol is gray-white to light brown powder, density: 1.27g/cm3, boiling point: 356.2 ° Cat760mmHg. |
| preparation | take (S)-1-benzyl -3, 4-dihydroxypyrrolidine -2, 5-dione as the starting material and reduce it with sodium borohydride-iodine system to obtain the product (3R,4R)-(-)-1-benzyl -3, 4-pyrrolidine glycol. The borane generated by sodium borohydride under iodine catalysis forms a quaternary cyclic transition state with the carbonyl group in the imide, and another molecule of borane forms a N-BH3 complex with the nitrogen atom in the imide. As the reaction progresses, the carbonyl group is completely reduced to obtain (S)-1-benzyl -3, 4-dihydroxypyrrolidine-borane complex, and finally the borane is removed under the action of methanol to obtain the final product. The synthesis reaction formula of (3R,4R)-(-)-1-benzyl -3, 4-pyrrolidine diol is as follows: |
Last Update：2024-04-09 15:16:36
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