| Identification | More | [Name]
3-(3-Nitrophenyl)propionic acid | [CAS]
1664-57-9 | [Synonyms]
3-(3-NITROPENYL)PROPIONIC ACID
3-(3-NITROPHENYL)PROPIONIC ACID
3-(3-Nitrophenyl)propanoic acid
3-(3-Nitrophenyl)propionic acid ,98% | [Molecular Formula]
C9H9NO4 | [MDL Number]
MFCD01310835 | [Molecular Weight]
195.17 | [MOL File]
1664-57-9.mol |
| Chemical Properties | Back Directory | [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 Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HazardClass ]
CORROSIVE | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [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 |
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