Ethyl 4-Aminobutyrate Hydrochloride Chemical Properties

Melting point:

89-91 °C(lit.)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

color 

White to Almost white

Sensitive 

Hygroscopic

BRN 

3911780

CAS DataBase Reference

6937-16-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

RTECS 

ES6650000

HS Code 

29224999

Toxicity

LD50 intraperitoneal in mouse: 1350mg/kg

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Ethyl 4-Aminobutyrate Hydrochloride Usage And Synthesis

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

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