| Identification | More | [Name]
1,3-Cyclopentanedione | [CAS]
3859-41-4 | [Synonyms]
1,3-CYCLOPENTANEDIONE
CYCLOPENTANE-1,3-DIONE
1,3-Cyclopentadione
Cyclopentanedione
1,3-CYCLOPENTANEDIONE 98+%
Pentan-1,3-dione | [EINECS(EC#)]
223-372-8 | [Molecular Formula]
C5H6O2 | [MDL Number]
MFCD00001405 | [Molecular Weight]
98.1 | [MOL File]
3859-41-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to cream crystalline powder | [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. ]
0-6°C | [solubility ]
DMSO, Ethyl Acetate | [form ]
Crystalline Powder | [pka]
8.94±0.20(Predicted) | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [HS Code ]
29142900 |
| Raw materials And Preparation Products | Back Directory | [Preparation Products]
3-BROMO-CYCLOPENT-2-ENOL-->2-Methyl-1,3-cyclopentanedione-->2-Cyclopenten-1-one, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)--->3-ethylcyclopent-2-en-1-one-->3-Amino-cyclopent-2-enone-->2-Cyclopenten-1-one,2-bromo-3-ethoxy-(9CI)-->5H-Cyclopenta[b]pyridin-5-one,6,7-dihydro-2-methyl-(9CI) |
| Hazard Information | Back Directory | [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.] |
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