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| | 3-(3-Nitrophenyl)propionic acid Basic information |
| Product Name: | 3-(3-Nitrophenyl)propionic acid | | Synonyms: | 3-(3-NITROPHENYL)PROPIONIC ACID;3-(3-NITROPENYL)PROPIONIC ACID;3-Nitro-benzenepropanoic acid;3-(3-Nitrophenyl)propionic Acid, 97+%;3-(3-Nitrophenyl)propanoic acid;3-(3-Nitrophenyl)propionic acid ,98%;m-Nitrohydrocinnamic acid;3-nitro-3-phenylpropanoic acid | | CAS: | 1664-57-9 | | MF: | C9H9NO4 | | MW: | 195.17 | | EINECS: | | | Product Categories: | Aromatic Propionic Acids | | Mol File: | 1664-57-9.mol |  |
| | 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) |
| 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 Preparation Products And Raw materials |
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