| Identification | Back Directory | [Name]
METHYL-PYRROLIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER | [CAS]
392338-15-7 | [Synonyms]
(R)-3-Boc-methylamino-pyrrolidine
(R)-3-(N-Boc-MethylaMino)pyrrolidine
(R)-3-(N-Boc-N-methylamino)pyrrolidine
tert-butyl (R)-methyl(pyrrolidin-3-yl)carbamate
tert-Butyl methyl[(3R)-pyrrolidin-3-yl]carbamate
(3R)-3-(Methylamino)pyrrolidine, 3-BOC protected
tert-Butyl (R)-N-methyl-N-(pyrrolidin-3-yl)carbamate
tert-butyl N-Methyl-N-[(3R)-pyrrolidin-3-yl]carbaMate
METHYL-PYRROLIDIN-3-YL-CARBAMIC ACID TERT-BUTYL ESTER
(R)-3-[N-(tert-Butoxycarbonyl)-N-methylamino]pyrrolidine
(R)-N-(Methyl)-N-(pyrrolidin-3-yl)carbamic acid tert-butyl ester
Carbamic acid, N-methyl-N-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester | [Molecular Formula]
C10H20N2O2 | [MDL Number]
MFCD09263387 | [MOL File]
392338-15-7.mol | [Molecular Weight]
200.28 |
| Chemical Properties | Back Directory | [Boiling point ]
268℃ | [density ]
1.03 | [Fp ]
116℃ | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [form ]
liquid | [pka]
9.85±0.10(Predicted) | [color ]
Pale yellow | [InChI]
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m1/s1 | [InChIKey]
XYKYUXYNQDXZTD-MRVPVSSYSA-N | [SMILES]
C(OC(C)(C)C)(=O)N(C)[C@@H]1CCNC1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of (R)-3-(N-BOC-N-methylamino)pyrrolidine from the compound (CAS: 638217-49-9): preparation of tert-butyl [(3R)-pyrrolidin-3-yl]carbamate; dissolution of carbamate of compound 46 (15.58 g, 46.6 mmol) in ethanol (150 mL) under 5% Pd/C (1 g) ) catalyzed hydrogenation at 50 psi hydrogen pressure and room temperature for 18 hours. Subsequently, Pd/C (500 mg) was added additionally and the hydrogenation was continued under the same conditions for 26 hours. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under vacuum. Purification by column chromatography (eluent: DCM:MeOH:0.880 ammonia, volumetric ratio tapered from 100:0:0 to 90:10:1) afforded (R)-3-(N-BOC-N-methylamino)pyrrolidine as a light yellow oil (5.85 g, 62% yield).1H NMR (400 MHz, CDCl3) δ: 4.56 (1H, m) , 3.06 (2H, m), 2.87 (1H, m), 2.79 (1H, m), 2.78 (3H, s), 2.54 (1H, s), 1.95 (1H, m), 1.73 (1H, m), 1.43 (9H, s) ppm. m/z MS (ESI): 201 [M + H]+. | [References]
[1] Patent: US2007/185075, 2007, A1. Location in patent: Page/Page column 23-24
[2] Patent: WO2010/75270, 2010, A1. Location in patent: Page/Page column 179 |
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