ChemicalBook--->CAS DataBase List--->85774-09-0

85774-09-0

85774-09-0 Structure

85774-09-0 Structure
IdentificationBack Directory
[Name]

METHYL D-HOMOALANINATE HCL
[CAS]

85774-09-0
[Synonyms]

D-2-Abu-OMe HCl
H-D-2-Abu-Ome.HCl
METHYL D-HOMOALANINATE HCL
Methyl (R)-2-aminobutyrate HCL
Methyl (R)-2-aminobutanoate HCl
Methyl D-homoalaninate hydrochloride
(R)-2-AMino-butyric acid Methyl ester
(R)-methyl 2-aminobutanoate hydrochloride
Methyl (R)-2-aminobutanoate hydrochloride
methyl (2R)-2-aminobutanoate hydrochloride
D-2-Amino butanoic acid methyl ester hydrochloride
(R)-2-Aminobutanoic Acid Methyl Ester Hydrochloride
D-alpha-Aminobutyric acid methyl ester hydrochloride
Butanoic acid, 2-aMino-, Methyl ester, hydrochloride , (2R)-
Butanoic acid, 2-aMino-, Methyl ester, hydrochloride (1:1), (2R)-
[EINECS(EC#)]

675-786-7
[Molecular Formula]

C5H11NO2.HCl
[MDL Number]

MFCD10565758
[MOL File]

85774-09-0.mol
[Molecular Weight]

153.61
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[Appearance]

White to off-white Solid
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1/C5H11NO2.ClH/c1-3-4(6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/s3
[InChIKey]

AHAQQEGUPULIOZ-NDILARRWNA-N
[SMILES]

[C@@H](N)(CC)C(=O)OC.Cl |&1:0,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[HS Code ]

29224999
Hazard InformationBack Directory
[Uses]

(R)-2-Aminobutanoic Acid Methyl Ester Hydrochloride is used as a reagent in the synthesis of pteridine derivatives which have antibacterial and antifungal activies. (R)-2-Aminobutanoic Acid Methyl Ester Hydrochloride is also used in the synthesis of diazepanones as dipeptidyl peptidase IV inhibitors.
[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 h before the solvent was removed by vacuum evaporation. Finally, 7.6 g (101% yield) of DL-2-aminobutyric acid methyl ester hydrochloride was obtained, whose mass spectrometry analysis showed that the (M + H)+ peak was located at 118 m/z.

[References]

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

METHYL D-HOMOALANINATE HCL(85774-09-0)1HNMR
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