35691-93-1

Basic information

• Product Name: ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE
• Synonyms: 3,5-dimethyl-4-pyrazolecarboxylicaciethylester;3,5-dimethylpyrazole-4-carboxylicacidethylester;3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE;ETHYL 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE;ETHYL 3,5-DIMETHYL-1H-PYRRAZOLE-4-CARBOXYLATE;Ethyl 3,5-Dimethylpyrazole-4-carboxylate;3,5-Dimethyl-4-(ethoxycarbonyl)-1H-pyrazole
• CAS NO: 35691-93-1
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.19
• Mol File: 35691-93-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 66 °C
• Boiling Point: 284.8 °C at 760 mmHg
• Flash Point: 126 °C
• Appearance: /
• Density: 1.136 g/cm³
• Vapor Pressure: 0.00292mmHg at 25°C
• Refractive Index: 1.518
• Storage Temp.: 2-8°C(protect from light)
• PKA: 12.82±0.50(Predicted)
• CAS DataBase Reference: ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE(35691-93-1)
• EPA Substance Registry System: ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE(35691-93-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 35691-93-1(Hazardous Substances Data)

Usage

General Description

Ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate is a chemical compound with the molecular formula C9H14N2O2. It is an ester derivative of 3,5-dimethyl-1H-pyrazole-4-carboxylic acid and is commonly used in the synthesis of pharmaceuticals and agrochemicals. ETHYL 3,5-DIMETHYL-1H-4-PYRAZOLECARBOXYLATE is a yellow liquid with a slightly pungent odor, and it is flammable and may be harmful if ingested, inhaled, or absorbed through the skin. Ethyl 3,5-dimethyl-1H-4-pyrazolecarboxylate is primarily used as an intermediate in the production of various organic compounds and is handled and stored in accordance with standard safety procedures for hazardous chemicals.

InChI:InChI=1/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)

Upstream product

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Downstream Products

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• 1313197-33-9 N-(2-methoxyethyl)-3,5-dimethyl-1-(2-(3-(trifluoromethyl)benzyl)-1-benzothiophen-7-yl)-1H-pyrazole-4-carboxamide 
• 1313196-35-8 3,5-dimethyl-1-[2-[3-(trifluoromethyl)benzyl]-1-benzothiophen-7-yl]-1H-pyrazole-4-carboxylic acid 
• 1590405-96-1 ethyl 1-(2-cyano-4-methoxylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate 
• 1590405-94-9 ethyl 1-(cyano-4-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate 
• 1590405-75-6 ethyl 2-methyl-5-phenylpyrazolo[1,5-a]quinoline-3-carboxylate 
• 113808-86-9 3,5-dimethyl-1H-pyrazole-4-carboxylic acid 
• 1422280-91-8 ethyl 1-benzyl-3,7-dimethyl-1H-dipyrazolo[1,5-a:4',3'-e]pyridine-6-carboxylate 
• 1422280-90-7 ethyl 1,3,7-trimethyl-1H-dipyrazolo[1,5-a:4',3'-e]pyridine-6-carboxylate 
• 908072-08-2 ethyl 2-methylpyrazolo[1,5-a]quinoline-3-carboxylate 

Relevant articles and documents

Study of the Reaction of 2-(1-Alkoxyalkylidene)-1,3-dicarbonyl Compounds with Hydrazines

13C NMR study has shown that the only site of primary attack by hydrazines on alkyl 3-oxobutanoates containing an alkoxymethylene or 1-alkoxyethylidene group in position 2 is the ethylenic carbon atom and that the corresponding enehydrazine is the only observable intermediate product. According to quantum-chemical calculations of the electronic structure of the substrates, the reaction is orbital-controlled.