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3025-95-4

3025-95-4 Structure

3025-95-4 Structure
IdentificationMore
[Name]

AC-BETA-ALA-OH
[CAS]

3025-95-4
[Synonyms]

AC-BETA-ALA-OH
ACETYL-BETA-ALANINE
AC-GLY(C*CH2 )-OH
N-ACETYL-B-ALANINE
N-ACETYL-BETA-ALANINE
N-BETA-ACETYL-BETA-ALANINE
n-acetyl-á-alanine
3-Acetylamino-propionic acid
[EINECS(EC#)]

221-185-6
[Molecular Formula]

C5H9NO3
[MDL Number]

MFCD00037296
[Molecular Weight]

131.13
[MOL File]

3025-95-4.mol
Chemical PropertiesBack Directory
[Melting point ]

105-106℃
[Boiling point ]

392.0±25.0 °C(Predicted)
[density ]

1.174
[storage temp. ]

Store at 0-5°C
[solubility ]

DMSO, Methanol, Water
[form ]

Solid
[pka]

pK1: 4.445 (25°C)
[color ]

White
[CAS DataBase Reference]

3025-95-4(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2924.19.8000
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Chemical Properties]

White Cyrstalline Solid
[Uses]

Abnormal amino acid metbolite formed in patients with isovaleric acidemia (IVA)
[Definition]

ChEBI: The N-acetyl derivative of beta-alanine.
[Synthesis]

Acetic anhydride

108-24-7

β-Alanine

107-95-9

AC-BETA-ALA-OH

3025-95-4

In a 250 mL three-necked flask, 180 mL of chloroform was added as a solvent and 30 g of β-alanine (0.337 mol) and 37.8 g of acetic anhydride (0.371 mol) were added sequentially. The reaction system was heated to 60 °C and the reaction was stirred at this temperature for 5 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) or ninhydrin colorimetry during the reaction until β-alanine was completely converted. Upon completion of the reaction, the reaction mixture was cooled to 4 °C and stirring was continued at this temperature for 1 h to promote product precipitation. Subsequently, the solid product was collected by diafiltration and washed with cold chloroform. The resulting solid was dried to constant weight in a vacuum drying oven to afford 42 g of white crystalline N-acetyl-β-alanine (I) in 95.4% yield. The purity of the product was analyzed by high performance liquid chromatography (HPLC) and was ≥99.3%.

[IC 50]

Human Endogenous Metabolite
[Purification Methods]

The β-alanine crystallises from acetone. [King & King J Am Chem Soc 78 1089 1956, Beilstein 4 IV 2526, 2548.]
[References]

[1] European Journal of Organic Chemistry, 2012, # 29, p. 5774 - 5788,15
[2] European Journal of Organic Chemistry, 2012, # 29, p. 5774 - 5788
[3] Journal of the American Chemical Society, 2017, vol. 139, # 39, p. 13596 - 13599
[4] Patent: CN105461632, 2016, A. Location in patent: Paragraph 0030
[5] Journal of Polymer Science, 11946>124,
Spectrum DetailBack Directory
[Spectrum Detail]

AC-BETA-ALA-OH(3025-95-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

N-Acetyl-beta-alanine(3025-95-4)
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