78703-53-4

Basic information

• Product Name: 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI)
• Synonyms: 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI);1,3-dimethyl-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE);1,3-Dimethyl-1H-pyrazole-4-carboxylic acid AldrichCPR;1,3-dimethyl-4-pyrazolecarboxylic acid;BAS 04879380;1H-Pyrazole-4-carboxylic acid,1,3-dimethyl-
• CAS NO: 78703-53-4
• Molecular Formula: C₆H₈N₂O₂
• Molecular Weight: 140.141
• Product Categories: CARBOXYLICACID
• Mol File: 78703-53-4.mol
• Article Data: 19

Chemical Properties

• Melting Point: 182 °C
• Boiling Point: 299.2 °C at 760 mmHg
• Flash Point: 134.7 °C
• Appearance: /
• Density: 1.28 g/cm³
• Vapor Pressure: 0.000542mmHg at 25°C
• Refractive Index: 1.575
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3?+-.0.25(Predicted)
• CAS DataBase Reference: 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI)(78703-53-4)
• EPA Substance Registry System: 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI)(78703-53-4)

Safety Data

• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 78703-53-4(Hazardous Substances Data)

Usage

General Description

1H-Pyrazole-4-carboxylic acid, 1,3-dimethyl-(9CI) is a chemical compound with the molecular formula C7H10N2O2. It is a derivative of pyrazole and contains a carboxylic acid group and two methyl groups. 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9CI) is commonly used in the pharmaceutical industry for the synthesis of various drugs, and it has potential applications in medicinal chemistry and drug design. Its unique structural features make it a valuable building block for the development of new pharmaceuticals. Additionally, this compound may have other industrial applications in the field of agrochemicals and materials science.

InChI:InChI=1/C6H8N2O2/c1-4-5(6(9)10)3-8(2)7-4/h3H,1-2H3,(H,9,10)

Upstream product

• 25016-12-0 1,3-dimethyl-1H-pyrazole-4-carbaldehyde 
• 85290-76-2 1-methyl-3-methyl-1H-pyrazole-4-carboxylic acid ethyl ester 
• 141-97-9 ethyl acetoacetate 
• 60-34-4 methylhydrazine 
• 109-94-4 formic acid ethyl ester 
• 134653-70-6 ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate 
• 27006-82-2 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid 
• 6214-65-9 5-acetyluracil 
• 49836-24-0 (E)-2-(ethoxymethylene)-3-oxobutanoic acid ethyl ester 
• 85290-78-4 ethyl 3-methylpyrazole-4-carboxylate 
• 3788-94-1 2-ethoxymethylene-3-oxobutanoic acid ethyl ester 
• 2749-59-9 1,3-dimethyl-5-pyrazolone 
• 27006-76-4 5-chloro-4-formyl-1,3-dimethylpyrazole 
• 85290-70-6 5-chloro-N-<1,3-dimethyl-4-(phenylcarbamoyl)pyrazol-5-yl>-1,3-dimethyl-N-phenylpyrazole-4-carboxamide 

Downstream Products

• 5775-82-6 4-bromo-1,3-dimethyl-1H-pyrazole 
• 907204-38-0 1,3-dimethyl-1H-pyrazole-4-carboxylic acid (3'-chloro-4'-fluorobiphenyl-2-yl)-amide 
• 1005782-44-4 N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide 
• 103946-59-4 (1,3-dimethyl-1H-pyrazol-4-yl)methanol 
• 113100-61-1 1,3-dimethyl-1H-pyrazole-4-carboxylic acid chloride 
• 1092391-96-2 N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide 

Relevant articles and documents

Synthesis method of 1, 3-dimethyl-1H-pyrazole-4-carboxylic acid

The invention relates to a synthesis method of 1, 3-dimethyl-1H-pyrazole-4-carboxylic acid, and the method comprises the following steps: 1, carrying out condensation reaction on N, N-dimethylamino ethyl acrylate, triethylamine and acetyl chloride to generate ethyl 2-dimethylamino-3-oxobutyrate and triethylamine hydrochloride; 2, carrying out a cyclization reaction on 2-dimethylamino ethyl-3-oxobutyrate and methylhydrazine to generate 1, 3-dimethyl-1H-pyrazole ethyl-4-formate and a dimethylamine aqueous solution; 3, carrying out a reaction on formic acid, ethyl acetoacetate and dimethylamine generated in the step 2 cyclization reaction to generate 2-dimethylamino ethyl-3-oxobutyrate and water, wherein the ethyl 2-dimethylamino-3-oxobutyrate generated in the step 3 is recycled as a reactantin the step 2; 4, hydrolyzing the ethyl 1, 3-dimethyl-1H-pyrazole-4-formate to obtain the 1, 3-dimethyl-1H-pyrazole-4-carboxylic acid. The 1, 3-dimethyl-1H-pyrazole-4-carboxylic acid has the advantages of few synthesis steps, safe reaction process and no three-waste pollution, and is suitable for industrial batch large-scale preparation.

(1H-pyrazole-4-carboxamido) ethyl benzoate compound as well as preparation method and application thereof

The invention discloses an ethyl (1H-pyrazole-4-carboxamido) benzoate compound as well as a preparation method and application thereof. The structural formula of the (1H-pyrazole-4-carboxamido) ethylbenzoate compound is as shown in the formula (I), wherein the substituent groups R1 are phenyl or substituted phenyl, the number of substituent groups on a benzene ring of the substituted phenyl is one or more, and each substituent group is independently selected from H, halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C3 halogenated alkyl or nitro; and the substituent R2 is methyl, monofluoromethyl, difluoromethyl or trifluoromethyl. The invention discloses a novel compound with bactericidal activity, which is simple in preparation method and convenient to operate, and the obtained compound has betterinhibitory activity on pathogenic bacteria such as cucumber botrytis cinerea, fusarium oxysporum, cucumber corynespora leaf spot and the like under the concentration of 50 mg/mL.

Application of 1,3-dimethyl-1H-pyrazole-4-amide derivatives to herbicide preparation

The invention relates to an application of 1,3-dimethyl-1H-pyrazole-4-amide derivatives to herbicide preparation. Lettuce and Agrostis seeds are taken as test objects, and the following steps are carried out: sample treatment: the seeds are subjected to surface sterilization with 5%-10% Chlorox solution for 10 min before bioassay, and then the seeds are washed thoroughly by deionized water in a Millipore system and aired in an aseptic environment; sample treatment: 1 mM solutions are prepared from all samples by adopting acetone as a solvent; bioassay: bioassay is performed finally, and obtained compounds show better inhibition for lettuce and Agrostis. The compounds are new compounds with herbicidal activity, and the basis is provided for research and development of new pesticides.