| Identification | More | [Name]
1,5-Dimethylpyrazole | [CAS]
694-31-5 | [Synonyms]
1,5-DIMETHYL-1H-PYRAZOLE
AKOS B006758
AKOS PAO-1110
ART-CHEM-BB B006758
1,5-Dimethylpyrazole | [EINECS(EC#)]
614-969-8 | [Molecular Formula]
C5H8N2 | [MDL Number]
MFCD01646129 | [Molecular Weight]
96.13 | [MOL File]
694-31-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
82.75°C (estimate) | [Boiling point ]
158°C(lit.) | [density ]
0.9813 | [refractive index ]
1.4790 to 1.4830 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
liquid | [pka]
2.83±0.10(Predicted) | [color ]
Clear | [λmax]
217nm(EtOH)(lit.) | [InChI]
InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3 | [InChIKey]
LSZQMSSIUQNTDX-UHFFFAOYSA-N | [SMILES]
N1(C)C(C)=CC=N1 | [CAS DataBase Reference]
694-31-5(CAS DataBase Reference) | [NIST Chemistry Reference]
1,5-Dimethylpyrazole(694-31-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 1993 3/PG III | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
2933199090 |
| Hazard Information | Back Directory | [Uses]
1,5-Dimethylpyrazole is widely used in food, health products, cosmetics and other fields.
| [Synthesis]
Researchers have reported the alkylation of 3(5)-methylpyrazole with methyl iodide and dimethylcarbonate. However, these methods employ expensive reagents and low yields, and the technology is complex. For practical purposes, a better option is to use dimethylsulfate (DMS) in an alkaline medium as the alkylation agent. Isomers of 1,3-dimethylpyrazole and 1,5-dimethylpyrazole are obtained in a 20% aqueous solution of NaOH at 70°C. The yield of the 60 : 40 mixture of the isomers1,3-dimethylpyrazole and 1,5-dimethylpyrazole is 85%[1].
| [References]
[1] V. V. Rusak. “Extracting 1,3-dimethylpyrazole and 1,5-dimethylpyrazole from binary industrial mixtures.” Coke and Chemistry 58 7 (2015): 275–278. |
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