DL-2-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE Chemical Properties

Melting point:

150°C

storage temp. 

Inert atmosphere,2-8°C

solubility 

DMSO, Methanol, Water

form 

Solid

color 

White

Water Solubility 

almost transparency

InChI

InChI=1S/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H

InChIKey

AHAQQEGUPULIOZ-UHFFFAOYSA-N

SMILES

C(N)(CC)C(=O)OC.Cl

CAS DataBase Reference

7682-18-0

Safety Information

Safety Statements 

24/25

WGK Germany 

3

HS Code 

29156000

MSDS

• Language:English Provider:SigmaAldrich

DL-2-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE Usage And Synthesis

Chemical Properties

White Solid

Uses

Intermediate in the preparation of Ergonovine (E597800) derivatives.

Synthesis

The general procedure for the synthesis of DL-2-aminobutyric acid methyl ester hydrochloride from methanol and Boc-L-2-aminobutyric acid was as follows: 10.0 g (49.2 mmol) of Boc-L-2-aminobutyric acid was dissolved in 100 mL of methanol, and 6 mL (82.2 mmol) of thionyl chloride was added slowly and dropwise at 0 °C. The reaction mixture was stirred at room temperature for 14 hours. Upon completion of the reaction, the solvent was removed by vacuum evaporation to obtain the crude product. The crude product was further processed to obtain 7.6 g (101% yield) of DL-2-aminobutyric acid methyl ester hydrochloride. The product was analyzed by electrospray mass spectrometry (ES-MS), showing the (M + H)+ peak located at m/z 118.

References

[1] Patent: US2010/144681, 2010, A1. Location in patent: Page/Page column 67

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