Methyl 4-aminobutyrate hydrochloride Chemical Properties

Melting point:

120-125 °C(lit.)

storage temp. 

Inert atmosphere,Room Temperature

form 

powder to crystal

color 

White to Almost white

BRN 

3558996

InChI

InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H

InChIKey

WPGPRLVPWACBHW-UHFFFAOYSA-N

SMILES

C(=O)(OC)CCCN.Cl

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37

WGK Germany 

3

RTECS 

ES7065000

F 

3

HazardClass 

IRRITANT

HS Code 

2922498590

MSDS

• Language:English Provider:SigmaAldrich

Methyl 4-aminobutyrate hydrochloride Usage And Synthesis

Chemical Properties

White crystalline powder

Uses

Methyl 4-aminobutyrate, HCl

reaction suitability

reaction type: solution phase peptide synthesis

Synthesis

GENERAL METHOD: Thionyl chloride (20 mmol) was added slowly and dropwise to a 20 mL methanol solution of gamma-aminobutyric acid (10 mmol) under ice bath conditions. The reaction mixture was stirred at room temperature for about 2 h before the solvent was removed by rotary evaporator to give methyl 4-aminobutyrate hydrochloride (11a). The product was a white solid in 96.0% yield.1H NMR (400 MHz, D2O) δ 3.46 (s, 3H), 2.79 (t, J = 7.6 Hz, 2H), 2.28 (t, J = 7.3 Hz, 2H), 1.77-1.67 (m, 2H).ESI-MS analysis showed that the calculated value of [M + H-HCl]+ m/z was 118.1 and the measured value was 118.1.

References

[1] Journal of Medicinal Chemistry, 1984, vol. 27, # 10, p. 1263 - 1267
[2] Synthetic Communications, 1998, vol. 28, # 3, p. 471 - 474
[3] Tetrahedron Letters, 2005, vol. 46, # 47, p. 8137 - 8140
[4] Chemistry - A European Journal, 2012, vol. 18, # 18, p. 5767 - 5776
[5] Journal of Medicinal Chemistry, 2006, vol. 49, # 20, p. 6094 - 6103

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