| Identification | More | [Name]
H-ALA-OIPR HCL | [CAS]
39825-33-7 | [Synonyms]
H-ALA-OIPR HCL
H-Ala-OiPro.HCl
L-Alanine isopropyl ester hydrochloride
L-Alanine, 1-methylethyl ester (9CI)
H-ALA-OIPHCL | [Molecular Formula]
C6H14ClNO2 | [MDL Number]
MFCD08059709 | [Molecular Weight]
167.63 | [MOL File]
39825-33-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
88-91oC | [Boiling point ]
145.7±13.0 °C(Predicted) | [density ]
0.968±0.06 g/cm3(Predicted) | [storage temp. ]
Store at 0-5°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
8.11±0.29(Predicted) | [color ]
White | [Stability:]
Very Hygroscopic | [InChI]
InChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3/t5-/m0/s1 | [InChIKey]
QDQVXVRZVCTVHE-YFKPBYRVSA-N | [SMILES]
C(OC(C)C)(=O)[C@H](C)N | [CAS DataBase Reference]
39825-33-7(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Uses]
(S)-Isopropyl-2-aminopropanoate Hydrochloride, is a chemical reagent used in the synthesis of anti-HCV prodrugs based on imidazotriazine and pyrrolotriazine molecules. | [Synthesis]
Sulfoxide chloride (SOCl2, 29 mL, 400 mmol) was slowly added dropwise to a mixture of L-alanine hydrochloride (17.8 g, 200 mmol) suspended in isopropanol (700 mL) at 0 °C. Subsequently, the reaction mixture was continuously stirred at room temperature overnight. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure to afford the target product isopropyl (S)-2-aminopropionate (29.2 g, 87% yield). | [References]
[1] Patent: WO2015/56213, 2015, A1. Location in patent: Page/Page column 66
[2] Synthetic Communications, 2014, vol. 44, # 16, p. 2386 - 2392
[3] Journal of Molecular Structure, 2013, vol. 1041, p. 68 - 72
[4] Analytical Chemistry, 1991, vol. 63, # 4, p. 370 - 374
[5] Analytical Chemistry, 1997, vol. 69, # 5, p. 926 - 929 |
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