L-Alanine Isopropyl Ester CAS 39825-33-7
Introduction：Basic information about L-Alanine Isopropyl Ester CAS 39825-33-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
L-Alanine Isopropyl Ester Basic information
| Product Name: | L-Alanine Isopropyl Ester |
| Synonyms: | H-ALA-OIPR HCL;H-Ala-OiPro.HCl;L-Alanine, 1-methylethyl ester (9CI);H-ALA-OIPHCL;2-Aminopropionic acid isopropyl ester hydrochloride;(S)-isopropyl 2-aminopropanoate hydrochloride;L-Alanine, 1-Methylethyl ester;H-Ala-OiPr.HCl 98% |
| CAS: | 39825-33-7 |
| MF: | C6H13NO2 |
| MW: | 131.17 |
| EINECS: | |
| Product Categories: | Amino Acids Derivatives;GLYCINESCAFFOLD;Alanine [Ala, A];Amino Acids and Derivatives |
| Mol File: | 39825-33-7.mol |
L-Alanine Isopropyl Ester Chemical Properties
| 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) |
Safety Information
| 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 | 56-41-7 67-63-0 39825-33-7 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 |
L-Alanine Isopropyl Ester Preparation Products And Raw materials
| Raw materials | L-Alanine-->L-Alanine hydrochloride-->Isopropyl alcohol |
| Preparation Products | Tenofovir Alafenamide |
