(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole
(S)-Methyl oxazaborolidine
CAS: 112022-81-8
Molecular Formula: C18H20BNO
(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole - Names and Identifiers
| Name | (S)-Methyl oxazaborolidine |
| Synonyms | (S)-Me-CBS Catalyst (S)-Methyl oxazaborolidine (S)-2-Methyl-CBS-oxazaborolidine (S)-(+)-Methyl-CBS-oxazaborolidine (S)-METHYL-CBS-OXAZABOROLIDINE,1M SOLN.IN TOLUENE (S)-Methyl oxazaborolidine, in toluene, 1M solution α,α-diphenyl-l-prolinol methylboronic acid cycl-amide-ester (S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole (S)-1-METHYL-3,3-DIPHENYLHEXAHYDROPYRROLO[1,2-C][1,3,2]OXAZABOROLE (S)-1-METHYL-3,3-DIPHENYL-TETRAHYDRO-PYRROLO[1,2C][1,3,2]OXAZABOROLE (S)-3,3-Diphenyl-1-methyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole (3aS)-1-methyl-3,3-diphenyltetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaborole |
| CAS | 112022-81-8 |
| EINECS | 601-150-5 |
| InChI | InChI=1/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1 |
| InChIKey | VMKAFJQFKBASMU-KRWDZBQOSA-N |
(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole - Physico-chemical Properties
| Molecular Formula | C18H20BNO |
| Molar Mass | 277.17 |
| Density | 0.93g/mLat 20°C(lit.) |
| Melting Point | 115-117°C |
| Boling Point | 111°C |
| Flash Point | 40°F |
| Water Solubility | Hydrolyzes in water. |
| Vapor Presure | 6.7E-06mmHg at 25°C |
| Appearance | Liquid |
| Color | Colorless to amber |
| Exposure Limit | ACGIH: TWA 20 ppmOSHA: Ceiling 300 ppm; TWA 200 ppmNIOSH: IDLH 500 ppm; TWA 100 ppm(375 mg/m3); STEL 150 ppm(560 mg/m3) |
| BRN | 8492123 |
| pKa | 1.02±0.40(Predicted) |
| Storage Condition | room temp |
| Sensitive | Air & Moisture Sensitive |
| Refractive Index | -68 ° (C=1, MeOH) |
(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R67 - Vapors may cause drowsiness and dizziness R65 - Harmful: May cause lung damage if swallowed R63 - Possible risk of harm to the unborn child R48/20 - R11 - Highly Flammable R19 - May form explosive peroxides R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S36/37 - Wear suitable protective clothing and gloves. S33 - Take precautionary measures against static discharges. S29 - Do not empty into drains. S16 - Keep away from sources of ignition. |
| UN IDs | UN 1294 3/PG 2 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| HS Code | 29349990 |
| Hazard Class | 3 |
| Packing Group | II |
(S)-3,3-Diphenyl-1-methylpyrrolidino[1,2-c]-1,3,2-oxazaborole - Reference Information
| Application | (R)-2-methyl-CBS-oxazoborane is a kind of CBS catalyst. This kind of catalyst can reduce the prochiral ketone to the corresponding chiral secondary alcohol with high stereoselectivity under the action of borane tetrahydrofuran. |
Last Update：2024-04-10 22:30:50
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