2820-37-3

Basic information

• Product Name: 3,4-DIMETHYL PYRAZOLE
• Synonyms: 3,4-DIMETHYL PYRAZOLE;3,4-Dimethyl-1H-pyrazol;4,5-dimethyl-1H-pyrazole;3,4-Dimethyl-1
• CAS NO: 2820-37-3
• Molecular Formula: C₅H₈N₂
• Molecular Weight: 96.13042
• EINECS: 429-130-1
• Product Categories: Heterocyclic Compounds;Bases & Related Reagents;Heterocycles;Nucleotides
• Mol File: 2820-37-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 44-46°C
• Boiling Point: 189.67°C (rough estimate)
• Flash Point: 98.7 °C
• Appearance: Cream/Fused Solid
• Density: 0.9325
• Vapor Pressure: 0.168mmHg at 25°C
• Refractive Index: 1.4739 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Acetonitrile (Very Slightly), Chloroform (Slightly)
• PKA: 15.51±0.50(Predicted)
• Water Solubility: Slightly soluble in water.
• BRN: 1621
• CAS DataBase Reference: 3,4-DIMETHYL PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIMETHYL PYRAZOLE(2820-37-3)
• EPA Substance Registry System: 3,4-DIMETHYL PYRAZOLE(2820-37-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41-52/53
• Safety Statements: 26-39-61
• WGK Germany: 3
• Hazardous Substances Data: 2820-37-3(Hazardous Substances Data)

Usage

Description

3,4-Dimethyl-1H-pyrazole is an organic compound with the molecular formula C5H8N2. It is a light yellow solid and is commonly used as a pharmaceutical intermediate due to its unique chemical properties and structure.

Uses

Used in Pharmaceutical Industry:
3,4-Dimethyl-1H-pyrazole is used as a pharmaceutical intermediate for the synthesis of various drugs and medications. Its chemical structure allows for the development of new compounds with potential therapeutic applications, making it a valuable component in the pharmaceutical industry.
Used in Chemical Research:
As a light yellow solid with distinct chemical properties, 3,4-dimethyl-1H-pyrazole is also utilized in chemical research for the development and study of new chemical compounds and reactions. Its unique structure contributes to the advancement of knowledge in the field of chemistry and related disciplines.

InChI:InChI=1/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)

Upstream product

• 50421-80-2 4-hydroxy-3-methyl-but-3-en-2-one 
• 89364-26-1 2-ethyl-3-hydroxy-acrylaldehyde 
• 89831-40-3 3,4-dimethyl-2H-pyrazole-5-carboxylic acid 
• 126134-41-6 6-Chloro-2-(3,5-dimethyl-pyrazol-1-yl)-3-ethyl-3H-quinazolin-4-one 
• 71805-61-3 7,7-dimethyl-2,3-diaza-bicyclo[2.2.1]hept-2-ene 
• 15754-93-5 3,4-Dimethyl-1-carboxamido-pyrazol 
• 7664-93-9 sulfuric acid 
• 40572-80-3 2-methyl-3-oxo-butyraldehyde 2,3-enol tautomer 
• 7732-18-5 water 
• 7803-57-8 hydrazine hydrate 
• 497-03-0 2-methylbut-2-enal 
• 563-80-4 3-methyl-butan-2-one 
• 3393-64-4 4-hydroxy-3-methyl-2-butanone 
• 1187-89-9 1-dimethylamino-2-methyl-1-buten-3-one 

Downstream Products

• 99939-01-2 3,4-Dimethyl-1H-pyrazol-1-amin 
• 830321-32-9 4,5-Dimethyl-1H-pyrazol-1-amin 
• 86402-31-5 4,5-dimethyl-1,2,3-triazine 
• 116436-00-1 3,4-dimethyl-1-phenyl-1H-pyrazole 
• 202842-98-6 3,4-dimethylpyrazole phosphate 

Relevant articles and documents

Preparation method of 3, 4-dimethylpyrazole and phosphate thereof

The invention discloses a preparation method of 3, 4-dimethylpyrazole and phosphate thereof, which comprises the following steps: S1. making 2-butanone react with formate at -10 to 50 DEG C in a reaction solvent under the condition of keeping alkaline by using an alkaline substance, carrying out extraction separation, adding an alkylation reagent, continuing the reaction to obtain a reaction solution, and carrying out post-treatment to obtain a solution of an alkene ether compound, and S2, making the alkene ether compound prepared in the step S1 react with hydrazine hydrate or hydrazine salt at the temperature of -10 to 60 DEG C after the pH value is adjusted to 2-9, adding the alkaline substance to adjust the pH value to 7-11 after the reaction is finished, and carrying out post-treatmentto obtain the 3, 4-dimethyl pyrazole. The preparation method disclosed by the invention has the remarkable advantages of cheap raw materials, simplicity and convenience in operation, high yield, simplicity in three-waste treatment, high product quality, capability of recycling the solvent and the like, and is suitable for industrial production.

Preparation method of 3,4-dimethylpyrazole and preparation method of 3,4-dimethylpyrazole phosphate

The invention discloses a preparation method of 3,4-dimethylpyrazole and a preparation method of 3,4-dimethylpyrazole phosphate. The methods comprise the following steps: performing condensation by using 2-butanone and formate as raw materials, performing aminolysis, performing cyclization to prepare the 3,4-dimethylpyrazole; and performing a salt forming reaction on the 3,4-dimethylpyrazole and phosphoric acid to obtain the 3,4-dimethylpyrazole phosphate. The preparation method of the 3,4-dimethylpyrazole and the preparation method of the 3,4-dimethylpyrazole phosphate provided by the invention have the significant advantages that the raw materials are cheap and easy to obtain, the operation is simple and convenient, the yield is high, the product quality is high, the solvent can be recovered and reused, and the methods are suitable for industrial production.

Method for producing substituted pyrazoles

Pyrazole derivatives are prepared by reacting carbonyl compounds R1—C(O)—CH(R2)—CH2R3with hydrazine, its hydrate or its salts in 30 to 100% by weight sulfuric acid in the presence of catalytic amounts of iodine or of an iodine compound.