3-(3-Nitrophenyl)propionic acid Chemical Properties

Melting point:

110-112°C

Boiling point:

379.4±17.0 °C(Predicted)

Density 

1.343±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

4.50±0.10(Predicted)

color 

White to Light yellow

InChI

InChI=1S/C9H9NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)

InChIKey

ZOANOABZUNJOJT-UHFFFAOYSA-N

SMILES

C1(CCC(O)=O)=CC=CC([N+]([O-])=O)=C1

CAS DataBase Reference

1664-57-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

C

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HazardClass 

CORROSIVE

HS Code 

29163990

3-(3-Nitrophenyl)propionic acid Usage And Synthesis

Chemical Properties

Light yellow solid

Synthesis

General procedure: triethylamine (NEt3, 56.6 g, 0.56 mol) was slowly added dropwise to stirred formic acid (64.4 g, 1.4 mol) at 58 °C. Subsequently, N,N-dimethylformamide (DMF, 150 ml), cyclic (sub)isopropyl malonate (Meldrum acid, 57.6 g, 0.4 mol) and m-nitrobenzaldehyde (2a-c, 60.4 g, 0.4 mol) were added to the reaction system. The reaction mixture was heated to reflux and maintained for 4 hours. After completion of the reaction, the solvent was removed by vacuum evaporation. The residue was ground with distilled water (1000 ml) and acidified with concentrated hydrochloric acid. After acidification, the product generated by hydrochloric acid precipitation was collected by filtration, dried in air and finally recrystallized by ethyl acetate (3a) or carbon tetrachloride (3b, c) to give the pure 3-(3-nitrophenyl)propionic acid.

References

[1] Journal of Fluorine Chemistry, 2015, vol. 171, p. 174 - 176
[2] Archiv der Pharmazie, 2011, vol. 344, # 12, p. 840 - 842

3-(3-Nitrophenyl)propionic acid(1664-57-9)Related Product Information

• Stearic acid
• Sodium 3-nitrobenzenesulphonate
• Propionic acid
• 1-Chloro-3-nitrobenzene
• Propionic anhydride
• 3-NITROPROPIONIC ACID
• (S)-(+)-2-Phenylpropionic acid
• Folic acid
• TRIS(4-NITROPHENYL) PHOSPHATE
• Calcium Propionate
• Ethyl 2-(Chlorosulfonyl)acetate
• 3-Nitrobenzaldehyde
• Citric acid
• Ascoric Acid
• 1,3-Dinitrobenzene
• Nitrobenzene
• Phenylacetone
• Nitromethane