ChemicalBook--->CAS DataBase List--->102308-62-3

102308-62-3

102308-62-3 Structure

102308-62-3 Structure
IdentificationMore
[Name]

3-(4-Nitrophenyl)-beta-alanine
[CAS]

102308-62-3
[Synonyms]

3-AMINO-3-(4-NITROPHENYL)PROPANOIC ACID
3-AMINO-3-(4-NITRO-PHENYL)-PROPIONIC ACID
3-(P-NITROPHENYL)-DL-BETA-ALANINE
DL-3-AMINO-3-(4-NITRO-PHENYL)-PROPIONIC ACID
RARECHEM AK HD C007
3-(4-Nitrophenyl)-beta-alanine
[Molecular Formula]

C9H10N2O4
[MDL Number]

MFCD00187210
[Molecular Weight]

210.19
[MOL File]

102308-62-3.mol
Chemical PropertiesBack Directory
[Melting point ]

226 °C (decomp)
[Boiling point ]

410.3±40.0 °C(Predicted)
[density ]

1.404±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

3.50±0.10(Predicted)
[Appearance]

White to light yellow Solid
[CAS DataBase Reference]

102308-62-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-Nitrophenyl)-beta-alanine(102308-62-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

102308-62-3(sigmaaldrich)
Hazard InformationBack Directory
[Synthesis]

Malonic acid

141-82-2

4-Nitrobenzaldehyde

555-16-8

3-(4-Nitrophenyl)-beta-alanine

102308-62-3

General procedure for the synthesis of 3-amino-3-(4-nitrophenyl)propionic acid from malonic acid and p-nitrobenzaldehyde: A mixture of 2.40 g of p-nitrobenzaldehyde, 2.44 g of malonic acid, and 3.54 g of ammonium acetate (molar ratio 1:1.1:2.3) was dissolved in 200 mL of 1 -butanol, and the reaction was carried out at reflux for 1.5-2 hr until the release of carbon dioxide gas stopped. Upon completion of the reaction, the precipitate formed was filtered and washed sequentially with boiling 1-butanol (2 x 50 mL), boiling ethanol (2 x 50 mL) and 100 mL of water. The precipitate was dried at 80-100°C for 8-10 hours. The purity of the product was checked by thin layer chromatography (TLC) and the reaction yield was about 65-80%.

[References]

[1] European Journal of Medicinal Chemistry, 2018, vol. 156, p. 252 - 268
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