| Identification | More | [Name]
2-Methyl-1,3-cyclopentanedione | [CAS]
765-69-5 | [Synonyms]
2-METHYL-1,3-CYCLOPENTANEDIONE
2-METHYLCYCLOPENTAN-1,3-DIONE
METHYLCYCLE-D
2-Methyl-1,3-cyclopentadione
2-Methylcyclopentane-1,3-dione,98%
1,3-Cyclopentanedione, 2-methyl-
2-METHYL-1,3-CYCLOPENTANEDIONE(METHYLCYCLO-D) | [EINECS(EC#)]
212-153-2 | [Molecular Formula]
C6H8O2 | [MDL Number]
MFCD00001406 | [Molecular Weight]
112.13 | [MOL File]
765-69-5.mol |
| Chemical Properties | Back Directory | [Appearance]
LIGHT BEIGE TO TAN CRYSTALLINE POWDER | [Melting point ]
212-215 °C (lit.) | [Boiling point ]
213°C (estimate) | [density ]
1.0795 (rough estimate) | [refractive index ]
1.4550 (estimate) | [storage temp. ]
Store below +30°C. | [solubility ]
Solubility in hot Methanol (almost transparency). | [form ]
Crystalline Powder | [pka]
10.83±0.20(Predicted) | [color ]
Light beige to tan | [PH]
2.95 at 24.7℃ and 10g/L | [BRN ]
1237255 | [InChIKey]
HXZILEQYFQYQCE-UHFFFAOYSA-N | [LogP]
-0.8 at 30℃ and pH7.66 | [CAS DataBase Reference]
765-69-5(CAS DataBase Reference) | [NIST Chemistry Reference]
1,3-Cyclopentanedione, 2-methyl-(765-69-5) |
| 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
| [Hazard Note ]
Irritant | [HS Code ]
29142900 |
| Hazard Information | Back Directory | [Chemical Properties]
LIGHT BEIGE TO TAN CRYSTALLINE POWDER | [Uses]
2-Methyl-1,3-cyclopentanedione was used as a reactant in the identification and characterization of benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. | [Synthesis Reference(s)]
Synthetic Communications, 19, p. 373, 1989 DOI: 10.1080/00397918908050676 | [Synthesis]
The general procedure for the synthesis of 2-methyl-1,3-cyclopentanedione from 1,3-cyclopentanedione and tert-butyl peroxybenzoate was as follows: 1,3-cyclopentanedione (0.098 g, 1 mmol), tert-butyl peroxybenzoate (0.58 g, 3 mmol), CuCl (0.01 g, 0.1 mmol), and 2 mL of acetic acid were added to a reaction flask, and the reaction was carried out at 120 °C Reaction at 120°C. The progress of the reaction was monitored by thin layer chromatography (TLC) until the reaction was complete. After completion of the reaction, the crude product was purified by column chromatography (eluent ratio of petroleum ether:ethyl acetate = 40:1) to afford the target product 2-methyl-1,3-cyclopentanedione in 68% yield. | [References]
[1] Patent: CN105254483, 2016, A. Location in patent: Paragraph 0044 |
|
|