(2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid
- CAS NO.:1335316-40-9
- Empirical Formula: C13H22N2O5
- Molecular Weight: 286.32
- MDL number: MFCD29917577
- EINECS: 811-415-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-02 10:48:58
What is (2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid?
The Uses of (2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid
(5S)-N-(Methoxycarbonyl)-L-valyl-5-methyl-L-proline is an antiviral agent and Velpatasvir (V116000) intermediate. Velpatasvir is a NS5A inhibitor in patients with hepatitis C (HCV) infection.
Synthesis
To an ice-cold stirred solution of ethyl (2S,5S)-1 -[(2S)-2- (methoxycarbonylamino)-3-methyl-butanoyl]-5-methyl-pyrrolidine-2- carboxylate (5.6 g, 17.8 mmol) in ethanol (18 ml) is added a solution of lithium hydroxide monohydrate (17.8 mL of 1.7 M, 30.3 mmol). The reaction mixture is stirred for 5 hours at rt. The reaction mixture is concentrated, diluted with water, washed with ether. The aqueous solution is acidified with aq. 1 N HCl, extracted with CH2CI2. The combined extracts are washed with brine, dried (Na2S04), concentrated to afford (2S,5S)-1 -[(2S)-2-(methoxycarbonylamino)-3- methyl-butanoyl]-5-methyl-pyrrolidine-2-carboxylic acid (5g, 94%) as a white solid.
Properties of (2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid
Melting point: | 134 - 136°C |
Boiling point: | 489.9±40.0 °C(Predicted) |
Density | 1.198±0.06 g/cm3(Predicted) |
storage temp. | -20°C, Inert atmosphere |
solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
form | Solid |
pka | 3.61±0.40(Predicted) |
color | Off-White to Pale Beige |
InChI | InChI=1S/C13H22N2O5/c1-7(2)10(14-13(19)20-4)11(16)15-8(3)5-6-9(15)12(17)18/h7-10H,5-6H2,1-4H3,(H,14,19)(H,17,18)/t8-,9-,10-/m0/s1 |
Safety information for (2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid
Computed Descriptors for (2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidine-2-carboxylic acid
InChIKey | PNAXKGVRCAXIJK-GUBZILKMSA-N |
SMILES | C(O)(=O)[C@@H]1CC[C@H](C)N1C(=O)[C@H](C(C)C)NC(OC)=O |
Abamectin manufacturer
Viyash Life Sciences Pvt Ltd
Lakshmi Farmachem
New Products
Bromine 99.5% AR (4 x 500ml) Fehling's Solution No. B Amino Acid Kit of 23 items set Ammonium Molybdate Reagent Solution Beam's Reagent Solution Ehrlich's Reagent For detection of urobillinogen 4-((2-isopropoxyethoxy)methyl)phenol 4-Hydroxy Carbazole Amino Salicylic Acid. U.S.P. 2 – Methoxy – 5- Sulfamoyl Benzoic acid 1,2,3,4-Tetrahydrocarbazol-4-one Acetone Isobutryl oxime ester Curcuma aromatica Oil Curry leaf Extract Terminalia bellirica Extract Aloe vera extract 200x Withania somnifera (Ashwagandha Extract) Citrus bioflavonoids Extract Ethyl 3-(Pyridin-2-Ylamino)Propanoate Bilastine -IP/BP/ Cypermethric Acid Chloride Methyl Di Chloride (Mdc) 5-Nitrosalicylaldehyde 5-(Difluoromethoxy)-2-Mercapto-1H-Benzimidazole- IP/BP/Related products of tetrahydrofuran
You may like
-
1335316-40-9 (5S)-N-(Methoxycarbonyl)-L-valyl-5-methyl-L-proline 98%View Details
1335316-40-9 -
(5S)-N-(Methoxycarbonyl)-L-valyl-5-methyl-L-proline 98%View Details
-
7726-95-6 Bromine 99.5% AR (4 x 500ml) 99%View Details
7726-95-6 -
Formamide 99%View Details
75-12-7 -
2, 4-Pyrimidinediamine 3-Oxide 99%View Details
74638-76-9 -
85-81-4 6-Methoxy-8-Nitroquinoline 99%View Details
85-81-4 -
3-Bromo-4,5-Dihydro-1H-Benzo[B]Azepin-2(3H)-One 99%View Details
86499-96-9 -
(−)-Dip-Chloride 85116-37-6 99%View Details
85116-37-6