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7682-18-0

7682-18-0 Structure

7682-18-0 Structure
IdentificationBack Directory
[Name]

DL-2-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE
[CAS]

7682-18-0
[Synonyms]

Aminobutyri
DL-Abu-Ome.Hcl
Methyl 2-aminobutyrate HCl
Methyl DL-2-AMinobutyrate HCl
Methylergometrine Impurity 10
Methyl α-aminobutyrate hydrochloride
Methyl α-aminobutyrate hydrochloride
Methyl 2-aminobutyrate hydrochloride
Methyl 2-aminobutanoate hydrochloride
METHYLDL-A-AMINOBUTYRATEHYDROCHLORIDE
DL-2-Amino-n-butyricacidmethylesterHCl
METHYL DL-2-AMINOBUTYRATE HYDROCHLORIDE
methyl-dl-α-aminobutyrate hydrochloride
Aminobutyricacidmethylesterhydrochloride
DL-Methyl 2-aminobutanoate hydrochloride
Methyl DL-2-Aminobutyrate Hydrochloride >
METHYL DL-ALPHA-AMINOBUTYRATE HYDROCHLORIDE
2-Aminobutyric acid methyl ester hydrochloride
2-aminobutanoic acid, methyl ester hydrochloride
dl-A-amino-N-butyric acid methyl ester*hcl crysta
DL-2-AMINOBUTYRIC ACID METHYL ESTER HYDROCHLORIDE
DL-A-AMINO-N-BUTYRIC ACID METHYL ESTERHC L CRYSTALL
DL-2-Amino butanoic acid methyl ester hydrochloride
(R)-2-AMino-butyric acid Methyl ester hydrochloride
dl-α-amino-n-butyric acid methyl ester hydrochloride
DL-2-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE
DL-alpha-Aminobutyric acid methyl ester hydrochloride
DL-ALPHA-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE
[Molecular Formula]

C5H12ClNO2
[MDL Number]

MFCD00058295
[MOL File]

7682-18-0.mol
[Molecular Weight]

153.61
Chemical PropertiesBack Directory
[Melting point ]

150°C
[storage temp. ]

−20°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 DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29156000
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Intermediate in the preparation of Ergonovine (E597800) derivatives.
[Synthesis]

Methanol

67-56-1

BOC-ABU-OH

34306-42-8

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

7682-18-0

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
Spectrum DetailBack Directory
[Spectrum Detail]

DL-2-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE(7682-18-0)1HNMR
DL-2-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE(7682-18-0)13CNMR
DL-2-AMINO-N-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE(7682-18-0)IR1
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