|
| | 1,3-Cyclopentanedione Basic information |
| Product Name: | 1,3-Cyclopentanedione | | Synonyms: | 1,3-CYCLOPENTANEDIONE;1,3-CYCLOPENTANEDIONE 98+%;Pentan-1,3-dione;1,3-Cyclopentanedione,99%;1,3-Cyclopentandion;1,3-Cyclopentanedione, 99% 5GR;1,3-Dioxocyclopentane;1,3-Cyclopentanedione, 97+% | | CAS: | 3859-41-4 | | MF: | C5H6O2 | | MW: | 98.1 | | EINECS: | 223-372-8 | | Product Categories: | Ring Systems;C3 to C6;Carbonyl Compounds;Ketones;pharmacetical;ketone;Carbonyl Compounds | | Mol File: | 3859-41-4.mol |  |
| | 1,3-Cyclopentanedione Chemical Properties |
| Melting point | 149-151 °C (lit.) | | Boiling point | 143.59°C (rough estimate) | | density | 1.1008 (rough estimate) | | refractive index | 1.4400 (estimate) | | storage temp. | 2-8°C | | solubility | DMSO, Ethyl Acetate | | pka | 8.94±0.20(Predicted) | | form | Crystalline Powder | | color | white to brown | | Water Solubility | Very soluble in water. | | BRN | 1362728 | | InChI | InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2 | | InChIKey | LOGSONSNCYTHPS-UHFFFAOYSA-N | | SMILES | C1(=O)CCC(=O)C1 | | CAS DataBase Reference | 3859-41-4(CAS DataBase Reference) | | NIST Chemistry Reference | 1,3-Cyclopentanedione(3859-41-4) |
| | 1,3-Cyclopentanedione Usage And Synthesis |
| Chemical Properties | white to cream crystalline powder | | Uses | 1,3-Cyclopentanedione was used in the synthesis of chemical probes for selective labeling of sulfenic acid proteins. It was also used to synthesize enaminones with possible anticonvulsant activity. | | Definition | ChEBI: Cyclopentane-1,3-dione is a beta-diketone and a member of cyclopentanones. | | Synthesis Reference(s) | Journal of the American Chemical Society, 102, p. 2095, 1980 DOI: 10.1021/ja00526a059 | | Purification Methods | Purify the dione by Soxhlet extraction with CHCl3. The CHCl3 is evaporated and the residue is recrystallised from EtOAc and/or sublimed at 120o/4mm. [IR: Boothe et al. J Am Chem Soc 75 1732 1953, DePuy & Zaweski J Am Chem Soc 81 4920 1959, Beilstein 7 IV 1981.] |
| | 1,3-Cyclopentanedione Preparation Products And Raw materials |
|
