structure of 40704-11-8

3-Methylpyrazole-4-Carboxylic Acid(CAS 40704-11-8)

CAS No.: 40704-11-8 Brand: MolBest
M. Ft.: C5H6N2O2 Cat. No: G2832690
M. Wt.: 126.11 MDL: MFCD08443868
Storage: Store in a cool,dry area. Use: For laboratory research use only
HS CODE: 2933199090
Purity Grade Package Stock Price Quantity
97%
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RG 250MG In Stock 5 USD
97%
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RG 1G In Stock 7 USD
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RG 5G In Stock 19 USD
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97%
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RG 100G In Stock 443 USD
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RG 500G In Stock 2196 USD
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Applications of 40704-11-8

Industry Application Process
Pharmaceutical Chemicals Intermediate for the antidiabetic drug eplivanserin
Serves as a key structural unit for constructing the pyrazole ring in the eplivanserin molecule.
Multistep chemical synthesis
Typically involves esterification, condensation, and cyclization steps; reacts with hydrazine or its derivatives to form the pyrazole ring, followed by coupling reactions to assemble the peptide backbone.
Pharmaceutical Chemicals Building block for drug molecules
Used to synthesize potential active pharmaceutical ingredients featuring a pyrazole scaffold (e.g., JNK inhibitors, GSK-3 inhibitors).
Scaffold construction and modification
Carboxyl group utilized in amidation or decarboxylative coupling reactions to generate diverse libraries of drug candidates.
Organic Synthesis Reagent for nitrogen-containing heterocycle synthesis
Serves as a precursor to pyrazole derivatives, introducing the 3-methyl-4-carboxylic acid pyrazole functional group.
Functional group transformation
Carboxylic acid group exploited in reduction (to alcohol), acid chloride formation (to acyl chloride), or decarboxylation to prepare other derivatives.
Agrochemicals Agrochemical intermediate
Used in synthesizing pyrazole-containing insecticides or fungicides.
Chemical synthesis and derivatization
Different pharmacophores (e.g., amide, ether linkages) are attached to the carboxyl group or nitrogen atoms to screen for biological activity.
Research Reagents Analytical reagent and reference standard
Used in pharmaceutical analysis, structural confirmation, and reaction mechanism studies.
Preparation of certified reference materials
High-purity compound obtained via purification (e.g., recrystallization, preparative HPLC) for use as chromatographic or NMR reference standards.

Physical and chemical properties of 40704-11-8

Acidity coefficient

14.56±0.50(Predicted)

Boiling Point

384.2ºC at 760 mmHg

Density

1.404g/cm3

Exact Mass

126.04300

Flash Point

186.1ºC

Index of Refraction

1.595

LogP

0.41630

Melting Point

225-230ºC (dec.)(lit.)

Molecular Formula

C5H6N2O2

Molecular Weight

126.11300

PSA

65.98000

Storage condition

2-8°C(protect from light)

Spectrums of 40704-11-8

Attention:
1.The NMR spectrum displayed on the page is a pre-sale reference spectrum and may differ from that of the actual received batch.
2.The accompanying documentation will include the NMR spectrum and purity analysis data for the shipped batch.
Physical sample testing spectrum (NMR) of 40704-11-8

Retrosynthesis analysis of 40704-11-8


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Download SDS of 40704-11-8

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Hazard Statements

H315 Causes skin irritation
H319 Causes serious eye irritation
H335 May cause respiratory irritation

Safety Data Sheet

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