Cas no 1172405-66-1 (methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate)

Methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate is a pyrazole-based ester compound with potential applications in pharmaceutical and agrochemical synthesis. Its structure features both ethoxycarbonyl and methyl carboxylate functional groups, offering versatility as a building block in organic reactions. The compound's pyrazole core is known for its stability and ability to participate in heterocyclic chemistry, while the ester groups provide reactivity for further derivatization. This intermediate may be useful in the development of biologically active molecules due to its balanced lipophilicity and functional group compatibility. Its synthesis typically involves multi-step organic transformations, ensuring high purity for downstream applications. The compound's stability under standard storage conditions makes it a practical choice for research and industrial use.
methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate structure
1172405-66-1 structure
Product Name:methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate
CAS No:1172405-66-1
MF:C11H16N2O4
MW:240.255743026733
MDL:MFCD09473431
CID:3158829
PubChem ID:25247464
Update Time:2025-06-08

methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate
    • methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate
    • AKOS005167776
    • EN300-231314
    • methyl1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate
    • STK351666
    • methyl 1-(1-ethoxy-1-oxobutan-2-yl)pyrazole-3-carboxylate
    • 1172405-66-1
    • MDL: MFCD09473431
    • Inchi: 1S/C11H16N2O4/c1-4-9(11(15)17-5-2)13-7-6-8(12-13)10(14)16-3/h6-7,9H,4-5H2,1-3H3
    • InChI Key: VFMNAGLGPSBVET-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(CC)N1C=CC(C(=O)OC)=N1)=O

Computed Properties

  • Exact Mass: 240.11100700Da
  • Monoisotopic Mass: 240.11100700Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 70.4?2

methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB500872-100 mg
Methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate
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€231.60 2022-03-01
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methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate Related Literature

Additional information on methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate

Methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate (CAS No. 1172405-66-1): An Overview

Methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate (CAS No. 1172405-66-1) is a versatile compound that has garnered significant attention in the fields of organic chemistry, medicinal chemistry, and pharmaceutical research. This compound, often referred to as MEOPC, is characterized by its unique pyrazole core and ester functional group, which contribute to its diverse chemical and biological properties.

The chemical structure of methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate consists of a pyrazole ring attached to a methyl ester group and a substituted butanoyl moiety. The pyrazole ring, a five-membered heterocycle with two nitrogen atoms, is known for its biological activity and has been widely studied in the development of various pharmaceuticals. The ester functionality, on the other hand, can be readily hydrolyzed under physiological conditions, making it an attractive candidate for prodrug design.

Recent research has highlighted the potential of MEOPC in several therapeutic areas. One notable application is in the field of anti-inflammatory drugs. Studies have shown that compounds with a similar structure exhibit potent anti-inflammatory effects by inhibiting key enzymes involved in the inflammatory pathway, such as cyclooxygenase (COX) and lipoxygenase (LOX). This makes methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate a promising lead compound for the development of new anti-inflammatory agents.

In addition to its anti-inflammatory properties, MEOPC has also been investigated for its potential as an anticancer agent. Research has demonstrated that certain pyrazole derivatives can induce apoptosis in cancer cells by targeting specific signaling pathways. The presence of the ester group in methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate may enhance its cellular uptake and metabolic stability, further enhancing its therapeutic efficacy.

The synthetic route to methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate involves several well-established organic reactions. Typically, the synthesis begins with the formation of the pyrazole ring through a cyclocondensation reaction between an appropriate hydrazine and an α-ketoester. Subsequent functionalization steps, including esterification and alkylation, yield the final product. The modular nature of this synthetic pathway allows for easy modification of the substituents on the pyrazole ring, enabling the exploration of a wide range of analogs with varying biological activities.

The physicochemical properties of methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate have been extensively studied to understand its behavior in different environments. It is generally soluble in common organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO), but exhibits limited solubility in water. This solubility profile can be advantageous in formulating drug delivery systems that require controlled release or targeted delivery.

In terms of safety and toxicity, preliminary studies have indicated that MEOPC is well-tolerated at therapeutic doses. However, as with any new chemical entity, comprehensive safety assessments are essential before advancing to clinical trials. These assessments typically include in vitro cytotoxicity studies, genotoxicity tests, and animal models to evaluate potential adverse effects.

The future prospects for methyl 1-(1-ethoxy-1-oxobutan-2-y l)-1H-pyrazole -3-carboxylate are promising. Ongoing research is focused on optimizing its pharmacological properties through structure-based drug design and high-throughput screening techniques. Additionally, efforts are being made to develop novel formulations that can improve its bioavailability and reduce side effects.

In conclusion, methyl 1-(1 -ethoxy - 1 - oxo butan - 2 - yl) - 1 H - pyrazol e - 3 - car boxyla te (CAS No. 1 72405 -66 - 7) represents a valuable compound with significant potential in various therapeutic applications. Its unique chemical structure and favorable biological properties make it an attractive target for further research and development in the pharmaceutical industry.

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