Cas no 886531-62-0 ((2-phenylpyrimidin-5-yl)methanol)

(2-Phenylpyrimidin-5-yl)methanol is a versatile heterocyclic building block featuring a hydroxymethyl group at the 5-position of a 2-phenylpyrimidine scaffold. Its key advantages include its utility as an intermediate in pharmaceutical and agrochemical synthesis, where the pyrimidine core offers structural diversity for drug design. The hydroxymethyl group provides a reactive site for further functionalization, enabling derivatization into esters, ethers, or other modified structures. The compound’s aromatic pyrimidine ring enhances stability while allowing π-stacking interactions, which can be leveraged in material science applications. High purity grades ensure reproducibility in research and industrial processes. Its well-defined structure makes it suitable for cross-coupling reactions and metal-catalyzed transformations.
(2-phenylpyrimidin-5-yl)methanol structure
886531-62-0 structure
Product Name:(2-phenylpyrimidin-5-yl)methanol
CAS No:886531-62-0
MF:C11H10N2O
MW:186.20990228653
MDL:MFCD09817550
CID:69329
PubChem ID:21298145
Update Time:2025-06-08

(2-phenylpyrimidin-5-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • 5-(Hydroxymethyl)-2-phenylpyrimidine
    • (2-Phenylpyrimidin-5-yl)methanol
    • 2-phenyl-5-methanolpyrimidine
    • 5-Pyrimidinemethanol,2-phenyl
    • SCHEMBL913852
    • 886531-62-0
    • DTXSID60612128
    • FT-0716838
    • MFCD09817550
    • MS-22574
    • AKOS012049076
    • CS-0245199
    • phenyl-5-pyrimidine methanol
    • EN300-301086
    • Z1013716422
    • DJEBODXMCJKLPH-UHFFFAOYSA-N
    • 5-Pyrimidinemethanol,2-phenyl-
    • DB-078101
    • (2-phenylpyrimidin-5-yl)methanol
    • MDL: MFCD09817550
    • Inchi: 1S/C11H10N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-7,14H,8H2
    • InChI Key: DJEBODXMCJKLPH-UHFFFAOYSA-N
    • SMILES: OCC1C=NC(C2C=CC=CC=2)=NC=1

Computed Properties

  • Exact Mass: 186.07900
  • Monoisotopic Mass: 186.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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: 1
  • Topological Polar Surface Area: 46?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.201
  • Melting Point: 111-113
  • Boiling Point: 269.9°C at 760 mmHg
  • Flash Point: 117°C
  • Refractive Index: 1.606
  • PSA: 46.01000
  • LogP: 1.63590
  • Vapor Pressure: Not available

(2-phenylpyrimidin-5-yl)methanol Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(2-phenylpyrimidin-5-yl)methanol Pricemore >>

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Additional information on (2-phenylpyrimidin-5-yl)methanol

Introduction to (2-phenylpyrimidin-5-yl)methanol (CAS No. 886531-62-0)

(2-phenylpyrimidin-5-yl)methanol, identified by the Chemical Abstracts Service Number (CAS No.) 886531-62-0, is a significant compound in the realm of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the pyrimidine derivatives family, a class of heterocyclic aromatic compounds that have garnered considerable attention due to their diverse biological activities and potential therapeutic applications.

The molecular structure of (2-phenylpyrimidin-5-yl)methanol consists of a pyrimidine ring fused with a phenyl group, with a hydroxymethyl (-CH?OH) substituent at the 5-position of the pyrimidine ring. This unique structural arrangement imparts distinct chemical properties and reactivity patterns, making it a valuable intermediate in the synthesis of more complex molecules, particularly in drug development.

In recent years, there has been growing interest in pyrimidine-based compounds due to their role as pharmacophores in various therapeutic agents. The presence of the phenyl group enhances the lipophilicity of the molecule, while the hydroxymethyl group provides opportunities for further functionalization through esterification, etherification, or oxidation reactions. These characteristics make (2-phenylpyrimidin-5-yl)methanol a versatile building block for medicinal chemists.

One of the most compelling aspects of (2-phenylpyrimidin-5-yl)methanol is its potential application in the development of novel therapeutic agents. Recent studies have highlighted its role as a precursor in the synthesis of small-molecule inhibitors targeting various biological pathways. For instance, derivatives of this compound have been explored as potential kinase inhibitors, which are crucial in treating cancers and inflammatory diseases.

Research published in peer-reviewed journals has demonstrated that modifications to the pyrimidine core can significantly alter the biological activity of these compounds. By introducing different substituents or altering the connectivity of functional groups, chemists can fine-tune the pharmacological properties of (2-phenylpyrimidin-5-yl)methanol-derived molecules. This flexibility underscores its importance as a scaffold for drug discovery efforts.

The synthesis of (2-phenylpyrimidin-5-yl)methanol typically involves multi-step organic reactions, starting from readily available pyrimidine and phenyl precursors. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to construct the desired molecular framework efficiently. These synthetic strategies not only ensure high yields but also allow for scalability, making it feasible for industrial applications.

In addition to its pharmaceutical applications, (2-phenylpyrimidin-5-yl)methanol has shown promise in materials science and agrochemical research. Its unique structural features make it a candidate for developing novel organic semiconductors or as an intermediate in crop protection agents. The ability to modify its chemical structure further enhances its utility across multiple scientific disciplines.

The chemical reactivity of (2-phenylpyrimidin-5-yl)methanol allows for diverse functionalization strategies. The hydroxymethyl group can undergo various transformations, including alkylation, acylation, and glycosylation, enabling the creation of complex derivatives with tailored properties. This adaptability is particularly valuable in drug design, where specific biological activities are sought.

Recent advancements in computational chemistry have also contributed to a deeper understanding of how structural modifications influence the biological activity of pyrimidine derivatives like (2-phenylpyrimidin-5-yl)methanol. Molecular modeling techniques predict how different substituents interact with biological targets, guiding synthetic efforts toward more effective therapeutic candidates.

The safety profile of (2-phenylpyrimidin-5-yl)methanol is another critical consideration in its application. While it is not classified as a hazardous material under standard regulatory frameworks, proper handling procedures must be followed to ensure safe laboratory practices. Its stability under various conditions and compatibility with common solvents make it suitable for widespread use in research settings.

In conclusion, (2-phénylpyrimidin-l'-méthanol (CAS No. 88653l -62 -0) is a multifaceted compound with significant potential across pharmaceuticals and materials science. Its unique structural features and reactivity patterns make it an invaluable intermediate for synthetic chemists and drug developers alike. As research continues to uncover new applications for this compound and its derivatives, its importance in modern chemistry is likely to grow even further.

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