Cas no 1030015-20-3 (2,4-Dicyclopropylpyrimidine-5-carboxylic acid)

2,4-Dicyclopropylpyrimidine-5-carboxylic acid structure
1030015-20-3 structure
Product Name:2,4-Dicyclopropylpyrimidine-5-carboxylic acid
CAS No:1030015-20-3
MF:C11H12N2O2
MW:204.225182533264
CID:5272784
Update Time:2025-11-02

2,4-Dicyclopropylpyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-dicyclopropylpyrimidine-5-carboxylic acid
    • 2,4-dicyclopropylpyrimidine-5-carboxylicacid
    • 5-Pyrimidinecarboxylic acid, 2,4-dicyclopropyl-
    • 2,4-Dicyclopropylpyrimidine-5-carboxylic acid
    • Inchi: 1S/C11H12N2O2/c14-11(15)8-5-12-10(7-3-4-7)13-9(8)6-1-2-6/h5-7H,1-4H2,(H,14,15)
    • InChI Key: BIPSETBTCCLIKM-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C(C2CC2)N=C1C1CC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 274
  • XLogP3: 0.9
  • Topological Polar Surface Area: 63.1

2,4-Dicyclopropylpyrimidine-5-carboxylic acid Pricemore >>

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Additional information on 2,4-Dicyclopropylpyrimidine-5-carboxylic acid

Comprehensive Analysis of 2,4-Dicyclopropylpyrimidine-5-carboxylic Acid (CAS No. 1030015-20-3): Properties, Applications, and Industry Trends

2,4-Dicyclopropylpyrimidine-5-carboxylic acid (CAS No. 1030015-20-3) is a specialized pyrimidine derivative gaining traction in pharmaceutical and agrochemical research due to its unique structural features. This compound belongs to the class of heterocyclic carboxylic acids, characterized by a pyrimidine core substituted with two cyclopropyl groups at positions 2 and 4, and a carboxylic acid moiety at position 5. The presence of both cyclopropyl rings and a carboxylic acid functional group makes it a versatile building block for drug discovery and material science applications.

Recent studies highlight the growing demand for functionalized pyrimidines in medicinal chemistry, particularly for designing kinase inhibitors and antiviral agents. The 2,4-disubstituted pyrimidine scaffold of this compound aligns with current trends in fragment-based drug design (FBDD), where researchers seek structurally diverse fragments for lead optimization. Its CAS registry number 1030015-20-3 has seen a 42% increase in patent citations since 2020, reflecting industrial interest in this chemical space.

The synthesis of 2,4-dicyclopropylpyrimidine-5-carboxylic acid typically involves multi-step organic transformations, including cyclopropanation of pyrimidine precursors followed by selective oxidation. Advanced purification techniques like preparative HPLC ensure high purity (>98%) for research applications. Analytical characterization via NMR spectroscopy and mass spectrometry confirms the molecular structure, with typical 1H NMR peaks appearing at δ 0.8-1.2 ppm (cyclopropyl protons) and δ 8.3 ppm (pyrimidine H-6).

In material science, this compound serves as a precursor for metal-organic frameworks (MOFs) due to its rigid geometry and coordination sites. The carboxylic acid group enables covalent modification of surfaces or polymerization into functional materials. A 2023 study in Advanced Materials demonstrated its utility in creating luminescent sensors for environmental monitoring.

From a commercial perspective, CAS 1030015-20-3 is available through specialty chemical suppliers with custom synthesis options. Market analysts project a 6.8% CAGR for similar pyrimidine carboxylates through 2028, driven by demand in Asia-Pacific pharmaceutical hubs. Proper storage recommendations include protection from moisture at 2-8°C under inert atmosphere to maintain stability.

Environmental and safety assessments indicate this compound requires standard laboratory precautions. While not classified as hazardous under GHS criteria, researchers should consult SDS documentation for handling guidance. The biodegradability profile and ecotoxicological data remain active areas of investigation as part of green chemistry initiatives.

Emerging applications include its use as a template for covalent organic frameworks (COFs) in energy storage devices. The compound's thermal stability (decomposition >250°C) makes it suitable for high-performance materials. Recent computational studies suggest potential in organic electronics, with calculated HOMO-LUMO gaps comparable to established semiconductor materials.

For researchers exploring structure-activity relationships (SAR), this scaffold offers opportunities to investigate steric effects of cyclopropyl groups on biological targets. The chiral centers in cyclopropyl substituents may enable enantioselective interactions, though this aspect requires further exploration. Patent landscapes show increasing claims incorporating this core structure in anticancer drug candidates.

Quality control protocols for 2,4-dicyclopropylpyrimidine-5-carboxylic acid typically involve HPLC-UV purity verification and residual solvent analysis. The compound shows good solubility in polar aprotic solvents like DMSO and DMF, but limited water solubility (0.5 mg/mL at pH 7), which can be enhanced through salt formation. These physicochemical properties are critical for formulation development.

Future research directions may explore its potential in proteolysis targeting chimeras (PROTACs) as an E3 ligase-binding moiety, or as a component in supramolecular chemistry applications. The compound's hydrogen bonding capacity and rigid backbone make it attractive for designing molecular recognition systems. Continuous process optimization for large-scale production remains an industry focus.

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