(Z)-4,4,4-trifluoro-1-(2-furanyl)-3-oxo-1-buten-1-olate
4,4,4-trifluoro-1-(2-furyl)butane-1,3-dione
CAS: 326-90-9
Molecular Formula: C8H5F3O3
(Z)-4,4,4-trifluoro-1-(2-furanyl)-3-oxo-1-buten-1-olate - Names and Identifiers
| Name | 4,4,4-trifluoro-1-(2-furyl)butane-1,3-dione |
| Synonyms | NSC 9186 NSC 55431 NSC 55432 NSC 405709 NSC 405712 NSC 405708 NSC 405711 Furoyltrifluoroacetone Furonyltrifluoroacetone 2-Furoyltrifluoroacetone Perfluoroacetyl(2-furoyl)methane 4,4,4-trifluoro-1-(2-furyl)butane-1,3-dione 4,4,4-Trifluoro-1-(2-furyl)butane-1,3-dione 1,3-Butanedione, 4,4,4-trifluoro-1-(2-furyl)- 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione 1,3-Butanedione, 4,4,4-trifluoro-1-(2-furanyl)- (Z)-4,4,4-trifluoro-1-(2-furanyl)-3-oxo-1-buten-1-olate |
| CAS | 326-90-9 |
| EINECS | 206-315-1 |
| InChI | InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2 |
| InChIKey | OWLPCALGCHDBCN-UHFFFAOYSA-N |
(Z)-4,4,4-trifluoro-1-(2-furanyl)-3-oxo-1-buten-1-olate - Physico-chemical Properties
| Molecular Formula | C8H5F3O3 |
| Molar Mass | 206.12 |
| Density | 1.391g/mLat 25°C(lit.) |
| Melting Point | 19-21°C(lit.) |
| Boling Point | 203°C(lit.) |
| Flash Point | 189°F |
| Appearance | powder to lump to clear liquid |
| Color | White or Colorless to Yellow to Orange |
| BRN | 168085 |
| pKa | 5.56±0.23(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.528(lit.) |
(Z)-4,4,4-trifluoro-1-(2-furanyl)-3-oxo-1-buten-1-olate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 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. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29321900 |
| Hazard Class | IRRITANT |
(Z)-4,4,4-trifluoro-1-(2-furanyl)-3-oxo-1-buten-1-olate - Reference Information
| freezing point | 20.0 to 22.0 ℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | trifluoro-1-(2-furyl)-1, 3-butanedione can be used as an intermediate in organic synthesis and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process. |
| preparation | weigh 20.0g(181.6mmol) 2-acetylfuran, 50mL THF and 24mL ethyl trifluoroacetate into a 500mL flask. The obtained solution was cooled to 0 ℃ ~ 3 ℃ in an ice bath, and 1.0M LiHMDS(200mL) was added. Let the reaction heat up to room temperature and keep it overnight. Then the reaction is concentrated in vacuum to remove THF, and the residue is washed in the separatory funnel with ethyl acetate and 1.0M HCl. Ethyl acetate was separated, washed with brine, dried (Na2SO4) and concentrated in vacuum. Brown semi-solid trifluoro-1-(2-furyl)-1, 3-butandione was recovered with a yield of 32.5g (100%). |
Last Update：2024-04-09 21:01:54
