Cas no 40995-39-9 (Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate)

Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate is a versatile pyrazole-based intermediate widely used in organic synthesis and pharmaceutical research. Its key structural features include a formyl group at the 3-position and an ester moiety at the 4-position, making it a valuable precursor for the construction of heterocyclic compounds and active pharmaceutical ingredients (APIs). The compound exhibits high reactivity in condensation and cyclization reactions, facilitating the synthesis of complex molecular frameworks. Its stability under standard conditions and compatibility with various reaction conditions enhance its utility in multi-step synthetic routes. This intermediate is particularly significant in the development of agrochemicals, medicinal chemistry, and functional materials.

Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate structure

40995-39-9 structure

Product Name:Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate

CAS No:40995-39-9

MF:C₈H₁₀N₂O₃

MW:182.176601886749

MDL:MFCD24674750

CID:3233090

PubChem ID:21783764

Update Time:2025-11-02

Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

- 1H-PYRAZOLE-4-CARBOXYLIC ACID, 3-FORMYL-1-METHYL-, ETHYL ESTER
- ethyl 3-formyl-1-methylpyrazole-4-carboxylate
- Z1511755833
- Ethyl3-formyl-1-methyl-1H-pyrazole-4-carboxylate
- EN300-155773
- 40995-39-9
- Ethyl 3-formyl-1-methyl-1H-pyrazole-4-carboxylate
- MFCD24674750
- QBA99539
- Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate
- MDL： MFCD24674750
- Inchi： 1S/C8H10N2O3/c1-3-13-8(12)6-4-10(2)9-7(6)5-11/h4-5H,3H2,1-2H3
- InChI Key： WUHFNNFLPCZKIV-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C=O)=NN(C)C=1)=O

Computed Properties

Exact Mass: 182.06914219Da
Monoisotopic Mass: 182.06914219Da
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 4
Complexity: 208
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 0.2
Topological Polar Surface Area: 61.2?2

Experimental Properties

Density: 1.2±0.1 g/cm3
Boiling Point: 331.2±27.0 °C at 760 mmHg
Flash Point: 154.1±23.7 °C
Vapor Pressure: 0.0±0.7 mmHg at 25°C

Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate Pricemore >>

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Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:40995-39-9)Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate

Order Number:A1159160

Stock Status:in Stock

Quantity:1g

Purity:99%

Pricing Information Last Updated:Thursday, 29 August 2024 23:51

Price ($):731.0

Email:[email protected]

Product Official Link

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Additional information on Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate

Comprehensive Guide to Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate (CAS No. 40995-39-9)

Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate (CAS No. 40995-39-9) is a versatile pyrazole derivative widely used in pharmaceutical and agrochemical research. This compound, characterized by its formyl and ester functional groups, serves as a key intermediate in the synthesis of various bioactive molecules. Its unique structure makes it valuable for developing drug candidates and crop protection agents, aligning with current trends in green chemistry and sustainable synthesis.

The growing demand for heterocyclic compounds like Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate reflects the pharmaceutical industry's focus on targeted therapies and precision medicine. Researchers frequently search for "pyrazole derivatives in drug discovery" or "synthetic routes for 1H-pyrazole-4-carboxylates," highlighting its relevance in modern medicinal chemistry. This compound’s adaptability also makes it a subject of interest in AI-driven molecular design, where computational tools predict its reactivity and applications.

From a chemical perspective, Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate exhibits notable stability under standard conditions, making it suitable for multistep synthetic processes. Its formyl group allows for further functionalization, enabling the creation of libraries of derivatives for high-throughput screening. Such properties are critical for industries exploring "fragment-based drug design" or "scaffold hopping strategies," as noted in recent publications.

The agrochemical sector leverages this compound for developing next-generation pesticides with improved environmental profiles. With increasing regulatory scrutiny on traditional agrochemicals, Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate offers a pathway to safer alternatives. Queries like "pyrazole-based fungicides" or "biodegradable crop protectants" underscore its role in addressing global food security challenges.

Market analyses indicate rising investments in custom synthesis of Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate, driven by its applications in contract research organizations (CROs) and academic labs. Suppliers often highlight its compatibility with microwave-assisted synthesis and flow chemistry, techniques gaining traction for their efficiency and scalability. These advancements align with the broader shift toward Industry 4.0 in chemical manufacturing.

In conclusion, Ethyl 3-Formyl-1-methyl-1H-pyrazole-4-carboxylate (CAS No. 40995-39-9) stands at the intersection of innovation and practical utility. Its applications span drug development, agrochemical innovation, and material science, making it a compound of enduring significance. As research continues to uncover new uses, its role in sustainable chemistry and advanced manufacturing will likely expand further.

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