| Identification | More | [Name]
Ethyl 2-aminopropanoate hydrochloride | [CAS]
617-27-6 | [Synonyms]
DL-ALA ETHYL ESTER HCL
DL-ALANINE ETHYL ESTER HYDROCHLORIDE
DL-ALANINE-OET HCL
DL-ETHYL 2-AMINOPROPANOATE HYDROCHLORIDE
ETHYL-2-AMINOPROPANOATE HYDROCHLORIDE
H-DL-ALA-OET HCL
H-DL-ALA-OET HYDROCHLORIDE
TIMTEC-BB SBB004040
DL-Alanine Ethyl Ester HCl
DL-Alanineethylesterhydrochloride,99%
DL-AlanineEsterHydrochloride
(1-Ethoxy-1-oxopropan-2-yl)azanium chloride
DL-a-Alanine ethyl ester hydrochloride
DL-Alanine ethyl hydrochloride
DL-Ethyl alaninate hydrochloride | [EINECS(EC#)]
210-507-0 | [Molecular Formula]
C5H12ClNO2 | [MDL Number]
MFCD00013018 | [Molecular Weight]
153.61 | [MOL File]
617-27-6.mol |
| Chemical Properties | Back Directory | [Appearance]
White Crystalline Solid | [Melting point ]
85-87 °C(lit.) | [storage temp. ]
2-8°C | [solubility ]
Methanol (Sparingly), Water | [form ]
Granular Powder and Granules | [color ]
White | [Sensitive ]
Hygroscopic | [BRN ]
3654425 | [InChI]
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H | [InChIKey]
JCXLZWMDXJFOOI-UHFFFAOYSA-N | [SMILES]
C(=O)(C(N)C)OCC.Cl | [CAS DataBase Reference]
617-27-6(CAS DataBase Reference) | [EPA Substance Registry System]
617-27-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29224999 |
| Hazard Information | Back Directory | [Chemical Properties]
White Crystalline Solid | [Uses]
Alanine derivative | [reaction suitability]
reaction type: solution phase peptide synthesis | [Synthesis]
The general procedure for the synthesis of ethyl 2-aminopropionate hydrochloride from ethanol and DL-alanine was as follows: commercially available DL-alanine (5.00 g, 56.12 mmol) was dissolved in 150 mL of anhydrous ethanol, 5 mL of 37% concentrated hydrochloric acid was added, and the mixture was refluxed for 5 hours. After completion of the reaction, the solvent was removed by evaporation and the resulting colorless oily residue was vacuum dried to give the target product in 92% yield. The product was characterized by 1H NMR (CDCl3): δ 1.05 (t, 3H, J=7.07Hz, -OCH2CH3), 1.45 (d, 3H, J=7.25Hz, -CHCH3), 3.48 (q, 2H, J=7.07Hz, -OCH2CH3), and 4.02 ppm (q, 1H, J=7.25Hz, - CHCH3). High-resolution mass spectrometry (HRMS, ESI, 140 eV) analysis showed that the m/z [M+H+] calculated value for C5H12NO2 was 118.0868 and the measured value was 118.0794. | [References]
[1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1994, # 7, p. 1455 - 1462
[2] Dalton Transactions, 2008, # 13, p. 1689 - 1697
[3] Polyhedron, 2014, vol. 67, p. 520 - 528
[4] Scientia Pharmaceutica, 2001, vol. 69, # 4, p. 329 - 350
[5] Bioorganic and Medicinal Chemistry, 2009, vol. 17, # 6, p. 2336 - 2350 |
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