Cas no 22126-42-7 (2-(4-methylpyrimidin-5-yl)ethan-1-ol)

2-(4-Methylpyrimidin-5-yl)ethan-1-ol is a pyrimidine derivative featuring a hydroxymethyl functional group at the 5-position of the heterocyclic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its pyrimidine core offers structural diversity, enabling applications in medicinal chemistry for drug discovery and ligand design. The hydroxyl group enhances solubility and reactivity, facilitating further functionalization. The methyl substituent at the 4-position contributes to steric and electronic modulation, influencing binding affinity in target interactions. This compound is valued for its synthetic flexibility and potential as a building block for biologically active molecules.
2-(4-methylpyrimidin-5-yl)ethan-1-ol structure
22126-42-7 structure
Product Name:2-(4-methylpyrimidin-5-yl)ethan-1-ol
CAS No:22126-42-7
MF:C7H10N2O
MW:138.167101383209
CID:250466
PubChem ID:45080431
Update Time:2025-06-10

2-(4-methylpyrimidin-5-yl)ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidineethanol,4-methyl-
    • 5-Pyrimidineethanol, 4-methyl- (8CI)
    • 2-(4-methylpyrimidin-5-yl)ethanol
    • 2-(4-methylpyrimidin-5-yl)ethan-1-ol
    • 22126-42-7
    • EN300-1837663
    • Inchi: 1S/C7H10N2O/c1-6-7(2-3-10)4-8-5-9-6/h4-5,10H,2-3H2,1H3
    • InChI Key: MASJHMMIRVHTDV-UHFFFAOYSA-N
    • SMILES: OCCC1=CN=CN=C1C

Computed Properties

  • Exact Mass: 138.0794
  • Monoisotopic Mass: 138.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 97.6
  • 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
  • Topological Polar Surface Area: 46A^2
  • XLogP3: 0.2

Experimental Properties

  • PSA: 46.01

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Additional information on 2-(4-methylpyrimidin-5-yl)ethan-1-ol

Comprehensive Overview of 2-(4-Methylpyrimidin-5-yl)ethan-1-ol (CAS No. 22126-42-7): Properties, Applications, and Industry Insights

2-(4-Methylpyrimidin-5-yl)ethan-1-ol (CAS No. 22126-42-7) is a specialized organic compound gaining attention in pharmaceutical and agrochemical research due to its unique pyrimidine-based structure. This heterocyclic alcohol derivative features a 4-methylpyrimidine core linked to an ethanol moiety, making it a versatile intermediate for synthesizing bioactive molecules. Recent studies highlight its potential in drug discovery, particularly for kinase inhibitors and antimicrobial agents, aligning with the growing demand for novel therapeutic scaffolds.

The compound's physicochemical properties—including a molecular weight of 138.17 g/mol and moderate polarity—make it soluble in common organic solvents like ethanol and DMSO, facilitating its use in laboratory settings. Researchers are exploring its structure-activity relationships (SAR) to optimize derivatives for improved bioavailability, a hot topic in medicinal chemistry forums. Its pyrimidine ring system mimics natural nucleobases, enabling interactions with biological targets, which explains its rising popularity in small-molecule drug development projects.

In agrochemical applications, 2-(4-Methylpyrimidin-5-yl)ethan-1-ol serves as a precursor for crop protection agents, addressing the global need for sustainable agriculture solutions. Industry reports suggest its derivatives may exhibit plant growth regulation properties, coinciding with increased searches for "eco-friendly pesticide alternatives." The compound's stability under physiological pH conditions enhances its practicality for formulation development, a key consideration for R&D teams.

Analytical characterization of CAS No. 22126-42-7 typically involves HPLC purification and NMR spectroscopy, with purity thresholds exceeding 98% for research-grade material. Quality control protocols emphasize residual solvent analysis, reflecting current Good Manufacturing Practice (cGMP) trends. The synthetic route often employs catalytic hydrogenation or Grignard reactions, topics frequently discussed in organic synthesis communities.

Market analysts note growing procurement of this compound by contract research organizations (CROs) specializing in fragment-based drug design. Its molecular diversity makes it valuable for high-throughput screening libraries, particularly in oncology and infectious disease research. Patent databases reveal increasing claims incorporating this scaffold, especially in kinase inhibitor technologies—a dominant theme in recent biopharma innovations.

Environmental and safety assessments indicate 2-(4-Methylpyrimidin-5-yl)ethan-1-ol requires standard laboratory precautions, with no exceptional hazards reported. This aligns with industry shifts toward green chemistry principles, a trending search term among chemistry professionals. Storage recommendations suggest inert atmosphere conditions to maintain stability, a detail often queried in chemical handling forums.

Emerging applications include its use in fluorescent probes for cellular imaging, leveraging the pyrimidine ring's electron-rich properties. This connects to the booming diagnostics market, where users frequently search for "small-molecule imaging agents." Computational chemistry studies predict favorable ADMET profiles for derivatives, addressing the pharmaceutical industry's focus on drug-likeness optimization.

Supply chain data shows increased availability from specialty chemical manufacturers in Asia and North America, with custom synthesis options for isotope-labeled versions—a service gaining traction in metabolomics research. Technical bulletins emphasize the importance of stoichiometric control during scale-up processes, a practical concern for process chemists.

The compound's structure-property relationships continue to inspire academic investigations, with recent publications exploring its metal coordination complexes for catalytic applications. This intersects with interest in "transition metal catalysts," a rising search term in materials science circles. Its balanced lipophilicity (LogP ~0.8) makes it particularly interesting for blood-brain barrier penetration studies.

Future research directions may explore its polymeric derivatives for controlled release formulations, tapping into the expanding drug delivery systems market. As regulatory agencies emphasize impurity profiling, analytical methods for CAS No. 22126-42-7 are being refined using advanced mass spectrometry techniques—another area receiving substantial online engagement from analytical chemists.

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