| Identification | Back Directory | [Name]
L-Alanine isopropyl ester hydrochloride | [CAS]
62062-65-1 | [Synonyms]
L-Ala.oipr.Hcl
anine isopropyL
Tenofovir Impurity 78
L-Alanine isopropyl ester HCl
propan-2-yl (2S)-2-aminopropanoate
L- alanine isopropyl hydrochloride
(S)-ISOPROPYL 2-AMINOPROPANOATE HCL
alanine isopropyl ester hydrochloride
L-Alanine isopropyl ester hydrochloide
(S)-2-Amino-propionic acid isopropyl ester
Isopropyl L-alaninate hydrochloride ?(1:1)
Alanine, 1-methylethyl ester, hydrochloride
L-Alanine Isopropyl Ester Hydrochloride >
Isopropyl (S)-2-Aminopropionate Hydrochloride
L-Alanine, 1-Methylethyl ester, hydrochloride
L-Alanine, 1-Methylethyl ester, hydrochloride (1:1)
L-Alanine Isopropyl Ester Hydrochloride
Prop-2-yl L-alaninate hydrochloride, Isopropyl (2S)-2-aminopropanoate hydrochlo
Prop-2-yl L-alaninate hydrochloride, Isopropyl (2S)-2-aminopropanoate hydrochloride, H-Ala-OiPr HCl | [EINECS(EC#)]
200-001-8 | [Molecular Formula]
C6H13NO2.HCl | [MDL Number]
MFCD08059709 | [MOL File]
62062-65-1.mol | [Molecular Weight]
168 |
| Chemical Properties | Back Directory | [Melting point ]
85 °C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [Water Solubility ]
Soluble in water | [form ]
powder to crystal | [color ]
White to Orange to Green | [Optical Rotation]
Consistent with structure | [Stability:]
Very Hygroscopic | [InChI]
InChI=1/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/s3 | [InChIKey]
YAQKNCSWDMGPOY-JEDNCBNOSA-N | [SMILES]
C(=O)([C@@H](N)C)OC(C)C.Cl |&1:2,r| |
| Hazard Information | Back Directory | [Description]
L-alanine isopropyl ester hydrochloride is used as a key intermediate of sofosbuvir, a mature synthesis method is adopted at present, alanine is subjected to acyl chlorination by thionyl chloride and then reacts with isopropanol.
| [Uses]
L-Alanine isopropyl ester hydrochloride is a reagent used in the synthesis of anti- hepatitis C virus prodrugs based on imidazotriazine and pyrrolotriazine molecules. Further, it reacts with (1R:2R)-2-Hydroxy-πnanone-3 to prepare isopropyl (1R,2R,5R)-2′-[(2-hydroxypinan-3-ylene)amino]propanoate. | [Reactions]
L-alanine isopropyl ester hydrochloride is stable under normal conditions, it reacts with oxidizing agents.
| [Synthesis]
To a reaction flask equipped with a mechanical stirrer, reflux condenser tube, thermometer and under nitrogen protection was added L-alanine (5.0 g, 56.1 mmol) and 11.1% w/w isopropanol HCl solution (73.8 g, 224.5 mmol). The reaction mixture was heated to reflux temperature (80-85 °C) and kept for 4 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) using a 7:3 ethanol-water mixture as eluent and ninhydrin as color developer. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure to remove isopropanol and isopropyl acetate, and the residual solvent was removed by multiple azeotropic distillations to give the final product (R)-isopropyl (R)-2-aminopropionate hydrochloride in oil form (9.4 g, quantitative yield). | [References]
[1] Patent: WO2016/151542, 2016, A1. Location in patent: Page/Page column 19
[2] European Journal of Organic Chemistry, 2018, vol. 2018, # 20, p. 2622 - 2628
[3] ACS Medicinal Chemistry Letters, 2016, vol. 7, # 12, p. 1197 - 1201
[4] Patent: WO2015/38596, 2015, A1. Location in patent: Page/Page column 237; 238
[5] Patent: WO2016/145142, 2016, A1. Location in patent: Page/Page column 287 |
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