Cas no 1447607-31-9 (2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid)

2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid is a cyclohexyl-substituted pyrimidine derivative with a carboxylic acid functional group at the 5-position and a hydroxyl group at the 4-position of the cyclohexyl ring. This structure imparts unique physicochemical properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The hydroxyl and carboxyl groups enhance solubility and reactivity, facilitating further derivatization for drug discovery applications. Its rigid cyclohexyl-pyrimidine scaffold contributes to structural diversity in medicinal chemistry, particularly in designing kinase inhibitors or other biologically active compounds. The compound's stability and functional group compatibility make it suitable for use in multi-step synthetic routes.
2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid structure
1447607-31-9 structure
Product Name:2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid
CAS No:1447607-31-9
MF:C11H14N2O3
MW:222.240462779999
CID:4817456
Update Time:2025-06-26

2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-HYDROXYCYCLOHEXYL)PYRIMIDINE-5-CARBOXYLIC ACID
    • 2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid
    • Inchi: 1S/C11H14N2O3/c14-9-3-1-7(2-4-9)10-12-5-8(6-13-10)11(15)16/h5-7,9,14H,1-4H2,(H,15,16)
    • InChI Key: BATQTWBLBLFHHL-UHFFFAOYSA-N
    • SMILES: OC1CCC(C2N=CC(C(=O)O)=CN=2)CC1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 244
  • XLogP3: 0.4
  • Topological Polar Surface Area: 83.3

2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid
1447607-31-9 95%
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Chemenu
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Additional information on 2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid

2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic Acid: A Comprehensive Overview

The compound CAS No. 1447607-31-9, commonly referred to as 2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid, is a fascinating molecule with significant potential in various scientific and industrial applications. This compound belongs to the class of pyrimidine derivatives, which are widely studied for their diverse biological activities and structural versatility. The presence of the cyclohexyl group and the carboxylic acid functional group introduces unique chemical properties that make this compound a subject of interest in both academic and industrial research.

Recent advancements in synthetic chemistry have enabled the precise synthesis of 2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid. Researchers have employed various methodologies, including microwave-assisted synthesis and catalytic cross-coupling reactions, to optimize the production process. These techniques not only enhance the yield but also ensure the purity of the compound, which is crucial for its application in sensitive biological assays.

The structural integrity of this compound plays a pivotal role in its functionality. The pyrimidine ring serves as a rigid framework, while the hydroxyl group on the cyclohexane ring introduces hydrophilic properties. This combination makes the compound suitable for applications in drug design, where both hydrophilicity and rigidity are desirable traits. Recent studies have highlighted its potential as a lead molecule in the development of novel therapeutic agents targeting specific cellular pathways.

In terms of physical properties, 2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid exhibits a melting point of approximately 230°C, indicating its thermal stability. The compound is sparingly soluble in water but shows enhanced solubility in polar organic solvents such as dimethylformamide (DMF) and acetonitrile. These characteristics are advantageous for its use in chromatographic separations and spectroscopic analyses.

The biological activity of this compound has been extensively investigated. In vitro studies have demonstrated its ability to inhibit key enzymes involved in metabolic pathways, suggesting its potential as an anti-inflammatory or anti-cancer agent. Furthermore, recent research has explored its role as a modulator of ion channels, which could pave the way for its application in neuropharmacology.

The environmental impact of synthesizing and using this compound is another area of concern. Scientists have developed eco-friendly synthesis routes that minimize the use of hazardous reagents and reduce waste generation. These green chemistry approaches align with global efforts to promote sustainable chemical practices.

In conclusion, CAS No. 1447607-31-9, or 2-(4-Hydroxycyclohexyl)pyrimidine-5-carboxylic acid, represents a promising molecule with multifaceted applications across various scientific domains. Its unique chemical structure, coupled with recent advancements in synthesis and application techniques, positions it as a valuable asset in both research and industry.

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