ChemicalBook--->CAS DataBase List--->35691-93-1

35691-93-1

35691-93-1 Structure

35691-93-1 Structure
IdentificationBack Directory
[Name]

ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE
[CAS]

35691-93-1
[Synonyms]

Ethyl 3,5-Dimethylpyrazole-4-carboxylate
3,5-Dimethyl-4-(ethoxycarbonyl)-1H-pyrazole
ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE
ETHYL 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE
ETHYL 3,5-DIMETHYL-1H-PYRRAZOLE-4-CARBOXYLATE
3,5-dimethyl-4-pyrazolecarboxylicaciethylester
3,5-dimethylpyrazole-4-carboxylicacidethylester
3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-, ethyl ester
[Molecular Formula]

C8H12N2O2
[MDL Number]

MFCD00159638
[MOL File]

35691-93-1.mol
[Molecular Weight]

168.19
Chemical PropertiesBack Directory
[Melting point ]

66 °C
[Boiling point ]

284.8±35.0 °C(Predicted)
[density ]

1.136±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[form ]

solid
[pka]

12.82±0.50(Predicted)
[Appearance]

White to off-white Solid
[CAS DataBase Reference]

35691-93-1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P260-P271-P280
[HazardClass ]

IRRITANT
[HS Code ]

2933199090
[Toxicity]

LDLo oral in mouse: 250mg/kg
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE(35691-93-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Ethyl diacetoacetate

603-69-0

ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE

35691-93-1

General procedure for the synthesis of ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate from ethyl bisacetoacetate: To a solution of ethyl bisacetoacetate (4.6 g, 26.7 mmol) in ethanol (50 mL) was added hydrazine hydrochloride (1.8 g, 26.7 mmol). The reaction mixture was heated to reflux and kept for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The resulting residue was washed with ethyl acetate to afford ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate as a colorless solid (3.1 g, 69% yield), which was pure enough to be used directly in the subsequent reaction.

[References]

[1] Patent: WO2014/49133, 2014, A1. Location in patent: Page/Page column 44
[2] Justus Liebigs Annalen der Chemie, 1894, vol. 279, p. 237
[3] Archiv der Pharmazie (Weinheim, Germany), 1926, p. 346
[4] Zeitschrift fur Physikalische Chemie, 2013, vol. 227, # 6-7, p. 841 - 856
[5] Journal of Organic Chemistry, 2018, vol. 83, # 12, p. 6454 - 6465
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