| Identification | More | [Name]
ETHYL 4-AMINOBUTYRATE HYDROCHLORIDE | [CAS]
6937-16-2 | [Synonyms]
4-AMINOBUTYRIC ACID ETHYL ESTER HYDROCHLORIDE
ETHYL 4-AMINOBUTYRATE HYDROCHLORIDE
TIMTEC-BB SBB003878
butyricacid,4-amino-,ethylester,hydrochloride
df503
eegaba
ethyl-gamma-aminobutyrate,hydrochloride
gamma-aminobutyricacidethylesterhydrochloride
4-aminobutyrate ethyl hydrochloride
Ethyl-4-aminobutyrateHCl
4-AminobutyricacidethylesterHCl | [EINECS(EC#)]
230-063-1 | [Molecular Formula]
C6H14ClNO2 | [MDL Number]
MFCD00012915 | [Molecular Weight]
167.63 | [MOL File]
6937-16-2.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
ES6650000
| [HS Code ]
29224999 | [Toxicity]
LD50 intraperitoneal in mouse: 1350mg/kg |
| Hazard Information | Back Directory | [Uses]
Ethyl 4-aminobutyrate hydrochloride (4-Abu-Oet·HCl) has various potential applications. As a derivative of amino acids, it may play a significant role in biochemical and pharmaceutical research, especially in the design and synthesis of new drugs or bioactive compounds. Additionally, it could be utilized as a building block in organic synthesis to create organic compounds with specific structures and functionalities. | [Synthesis]
Ethyl 4-((tert-butoxycarbonyl)amino)butyrate was successfully synthesized as ethyl 4-aminobutyl ester hydrochloride (compound 44b) in 98% yield by hydrochloric acid/ethyl acetate treatment. During the reaction, stirring was continued for 3.5 h. Complete consumption of the raw material was confirmed by thin layer chromatography (TLC, unfolding agent ratio of 1:3 hexane:ethyl acetate). The product was a white solid with a melting point of 38 °C. The chemical shifts δ were analyzed by nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 300 MHz, MeOD) and were 4.14 (sext, 2H, J = 7.2 Hz), 3.03 (t, 2H, J = 7.2 Hz), 2.5 (t, 2H, J = 7.2 Hz), 1.99 (quint, 2H, J = 7.5 Hz), 1.25 (t, 3H, J = 7.2 Hz), respectively. J = 7.2 Hz). Nuclear magnetic resonance carbon spectroscopy (13C NMR, 75 MHz, MeOD) showed chemical shifts δ of 174.0, 61.7, 40.1, 31.8, 23.7, and 14.5, respectively. mass spectrometry (MS, CI+) analysis showed m/z of 133.11 (MD+, 54.01), 132.10 (MH+, 88.99), 86.07 ([MH+ -MeCH2O], 55.44). The results of high-resolution mass spectrometry (HRMS) analysis showed that the calculated value of C6H14NO2 (MH+, CI+) was 132.1025, and the measured value was 132.0992; the calculated value of C6H15NO2 (MH+, CI+) was 133.1103, and the measured value was 133.1098. | [References]
[1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 2, p. 447 - 467 |
|
|