| Identification | More | [Name]
3-(3-FURYL)ACRYLIC ACID | [CAS]
39244-10-5 | [Synonyms]
3-(3-FURYL)ACRYLIC ACID
RARECHEM BK HC S197
TIMTEC-BB SBB004191
TRANS-3-FURANACRYLIC ACID
Furan-3-acrylic acid
Furane-3-acrylicacid
3-Furanacrylic acid | [Molecular Formula]
C7H6O3 | [MDL Number]
MFCD00075074 | [Molecular Weight]
138.12 | [MOL File]
39244-10-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
155-158 °C(lit.) | [Boiling point ]
261.4±15.0 °C(Predicted) | [density ]
1.280±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Chloroform, Methanol | [form ]
Solid | [pka]
4.20±0.10(Predicted) | [color ]
Pale Yellow | [Water Solubility ]
Sparingly soluble in water (0.56 g/L at 25°C). | [BRN ]
1306450 | [InChI]
InChI=1S/C7H6O3/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9) | [InChIKey]
JHAPZUDWRRBZHZ-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C=CC1C=COC=1 | [CAS DataBase Reference]
39244-10-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
2932990090 |
| Hazard Information | Back Directory | [Uses]
3-(3-Furyl)acrylic acid is used as an intermediate in chemical research and pharmaceuticals. | [Synthesis]
To 12 mL of pyridine, 10.0 g of 3-furaldehyde and 15.0 g of malonic acid were added and heated with stirring at 80°C to 90°C for 2 hours. Upon completion of the reaction, the reaction solution was poured into ice water and the pH was adjusted to weakly acidic with 1 N hydrochloric acid. The precipitated crystals were collected by filtration, dissolved in ethyl acetate and the organic phase was washed with 1 N hydrochloric acid. The organic layer was dried with anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was recrystallized by ethyl acetate-hexane mixed solvent to give 11.78 g (82% yield) of 3-(3-furyl)acrylic acid. The product was characterized by 1H-NMR (CDCl3): δ 7.70-7.67 (m, 2H), 7.45 (s, 1H), 6.62-6.61 (m, 1H), 6.16 (d, J = 15.8 Hz, 1H). Mass spectral analysis showed m/e: 138 (M+, base peak). | [References]
[1] Organic and Biomolecular Chemistry, 2010, vol. 8, # 24, p. 5483 - 5485
[2] ChemMedChem, 2018, vol. 13, # 18, p. 1972 - 1977
[3] Heterocycles, 1984, vol. 22, # 8, p. 1747 - 1757
[4] Patent: EP1724267, 2006, A1. Location in patent: Page/Page column 128
[5] Patent: WO2016/37578, 2016, A1. Location in patent: Page/Page column 111 |
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