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ChemicalBook--->CAS DataBase List--->7211-57-6

7211-57-6

7211-57-6 Structure

7211-57-6 Structure
IdentificationBack Directory
[Name]

N-ACETYL-DL-2-AMINO-N-BUTYRIC ACID
[CAS]

7211-57-6
[Synonyms]

AC-DL-ABU-OH
AC-DL-2-ABU-OH
ACETYL-DL-BUTYRIN
2-Acetamidobutyric Acid
N-Acetyl-2-ethylglycine
2-ACETAMIDO-N-BUTYRIC ACID
AC-DL-2-AMINOBUTANOIC ACID
2-(Acetylamino)butyric acid
N-Acetyl-2-aminobutyric acid
AC-DL-ALPHA-AMINOBUTYRIC ACID
Butanoic acid, 2-(acetylaMino)-
N-ACETYL-DL-2-AMINO-BUTYRIC ACID
N-ACETYL-DL-2-AMINO-N-BUTYRIC ACID
N-Acetyl-DL-alpha-aminobutyric acid
N-ALPHA-ACETYL-DL-2-AMINOBUTYRIC ACID
N-Acetyl-DL-2-aminobutyric Acid
[Molecular Formula]

C6H11NO3
[MDL Number]

MFCD00020430
[MOL File]

7211-57-6.mol
[Molecular Weight]

145.16
Chemical PropertiesBack Directory
[Melting point ]

132 °C
[Boiling point ]

368.2±25.0 °C(Predicted)
[density ]

1.129
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Acetone, Water
[Water Solubility ]

Slightly soluble in water
[form ]

powder to crystal
[pka]

3.68±0.10(Predicted)
[color ]

White to Almost white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

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

2922.49.8000
Hazard InformationBack Directory
[Uses]

2-(Acetylamino)butanoic Acid-d5 is an intermediate of Isotope labelled L-2-Aminobutyric Acid (A602930) Receptor antagonist.
[Synthesis Reference(s)]

Tetrahedron Letters, 28, p. 2829, 1987 DOI: 10.1016/S0040-4039(00)96220-8
[Synthesis]

Acetic anhydride

108-24-7

DL-2-Aminobutyric acid

2835-81-6

N-ACETYL-DL-2-AMINO-N-BUTYRIC ACID

7211-57-6

General procedure for the synthesis of 2-acetylaminobutyric acid from ethanoic anhydride and DL-2-aminobutyric acid: 1. dissolve 163 g (1.58 mol) of DL-2-aminobutyric acid in an appropriate amount of acetic acid. 2. 242 g (2.37 mol) of acetic anhydride was added slowly and dropwise to the above solution. 3. the reaction mixture was stirred continuously at 100 °C for 2 hours until the reaction was complete. 4. After completion of the reaction, the solvent was removed by vacuum evaporation to give a solid residue. 5. The solid residue was suspended in ethyl acetate and filtered. 6. The filter cake was washed with ether to remove unreacted raw materials and by-products. 7. The target product 2-acetylaminobutyric acid was obtained after drying in a yield of 220 g (95.9% yield). Product characterization data: 1H-NMR (methanol-d4) δ/ppm 0.97 (t, 3H), 1.65-1.93 (m, 2H), 1.99 (s, 3H), 4.29 (q, 1H).

[References]

[1] Patent: WO2003/93268, 2003, A1. Location in patent: Page/Page column 25
[2] Patent: WO2003/93270, 2003, A1. Location in patent: Page/Page column 21
[3] Patent: WO2003/97645, 2003, A1. Location in patent: Page/Page column 26
[4] Biochemical Journal, 1939, vol. 33, p. 1915
[5] Journal of Physical Chemistry, 1984, vol. 88, # 1, p. 86 - 92
Spectrum DetailBack Directory
[Spectrum Detail]

N-ACETYL-DL-2-AMINO-N-BUTYRIC ACID(7211-57-6)MS
N-ACETYL-DL-2-AMINO-N-BUTYRIC ACID(7211-57-6)1HNMR
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