Cas no 127527-24-6 (Pyrimidine-2,5-dicarboxylic acid)

Pyrimidine-2,5-dicarboxylic acid is a heterocyclic dicarboxylic acid derivative with a pyrimidine core, offering versatile reactivity due to its two carboxyl functional groups. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination polymers. Its rigid aromatic structure and bifunctional nature enable its use in metal-organic frameworks (MOFs) and as a ligand in catalysis. The compound’s high purity and stability make it suitable for precise synthetic applications. Its solubility in polar solvents further enhances its utility in solution-phase reactions, while its well-defined reactivity profile ensures consistent performance in complex chemical transformations.
Pyrimidine-2,5-dicarboxylic acid structure
127527-24-6 structure
Product Name:Pyrimidine-2,5-dicarboxylic acid
CAS No:127527-24-6
MF:C6H4N2O4
MW:168.106961250305
MDL:MFCD16988201
CID:823708
PubChem ID:14470810
Update Time:2025-11-02

Pyrimidine-2,5-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine-2,5-dicarboxylic acid
    • 2,5-PYRIMIDINEDICARBOXYLICACID(9CI)
    • 127527-24-6
    • DB-352669
    • 2,5-PYRIMIDINEDICARBOXYLIC ACID
    • CFA52724
    • CS-W000477
    • SB57593
    • AS-48263
    • DTXSID20560691
    • SCHEMBL3705899
    • AKOS027324408
    • C6H4N2O4
    • pyrimidine-2,5-dicarboxylicacid
    • SY244406
    • F30096
    • MFCD16988201
    • MDL: MFCD16988201
    • Inchi: 1S/C6H4N2O4/c9-5(10)3-1-7-4(6(11)12)8-2-3/h1-2H,(H,9,10)(H,11,12)
    • InChI Key: PIVRLVQKXVLRCA-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C(C(=O)O)N=C1)=O

Computed Properties

  • Exact Mass: 168.01712
  • Monoisotopic Mass: 168.01710661g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: -0.4
  • Topological Polar Surface Area: 100?2

Experimental Properties

  • PSA: 100.38

Pyrimidine-2,5-dicarboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
ARK-2506-5g
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%
5g
$1000 2023-09-07
Chemenu
CM337136-100mg
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%+
100mg
$183 2021-08-18
Chemenu
CM337136-250mg
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%+
250mg
$284 2021-08-18
Chemenu
CM337136-1g
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%+
1g
$758 2021-08-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X02035-1g
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%
1g
¥3062.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X02035-100mg
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%
100mg
¥739.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X02035-250mg
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%
250mg
¥1228.0 2024-07-18
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-EE888-100mg
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95+%
100mg
932CNY 2021-05-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-EE888-250mg
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95+%
250mg
2128CNY 2021-05-07
Chemenu
CM337136-100mg
Pyrimidine-2,5-dicarboxylic acid
127527-24-6 95%+
100mg
$94 2024-08-02

Additional information on Pyrimidine-2,5-dicarboxylic acid

Pyrimidine-2,5-dicarboxylic Acid (CAS No. 127527-24-6): Properties, Applications, and Research Insights

Pyrimidine-2,5-dicarboxylic acid (CAS No. 127527-24-6) is a versatile organic compound that has garnered significant attention in pharmaceutical and materials science research. As a derivative of pyrimidine, this dicarboxylic acid exhibits unique chemical properties that make it valuable for synthesizing bioactive molecules, coordination polymers, and advanced materials. The growing interest in heterocyclic compounds for drug discovery and the surge in metal-organic frameworks (MOFs) research have positioned this compound as a molecule of considerable scientific and industrial relevance.

The molecular structure of Pyrimidine-2,5-dicarboxylic acid features two carboxyl groups at the 2- and 5-positions of the pyrimidine ring, enabling diverse reactivity patterns. This bifunctional nature allows it to act as an excellent ligand in coordination chemistry, forming stable complexes with various metal ions. Researchers are particularly interested in its potential for creating novel coordination polymers with applications in gas storage, catalysis, and sensing technologies. The compound's ability to participate in hydrogen bonding and π-π stacking interactions further enhances its utility in crystal engineering and supramolecular chemistry.

In pharmaceutical applications, Pyrimidine-2,5-dicarboxylic acid serves as a crucial building block for developing potential therapeutic agents. The pyrimidine scaffold is a privileged structure in medicinal chemistry, found in numerous FDA-approved drugs targeting viral infections, cancers, and inflammatory diseases. Recent studies have explored its derivatives as potential inhibitors of dihydroorotate dehydrogenase (DHODH), an enzyme target for autoimmune disorders and antiviral therapies. The compound's structural features also make it attractive for designing small molecule drugs with improved pharmacokinetic properties.

The synthesis and characterization of Pyrimidine-2,5-dicarboxylic acid have been subjects of ongoing research. Modern synthetic approaches focus on developing more efficient and environmentally friendly routes to produce this compound. Green chemistry principles are being applied to optimize reaction conditions, reduce waste generation, and improve yields. Analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry, and X-ray crystallography are routinely employed to verify the compound's purity and structural integrity, ensuring its suitability for various applications.

Material science applications of Pyrimidine-2,5-dicarboxylic acid have expanded significantly in recent years. Its ability to form extended networks with metal ions has led to the development of novel porous materials with potential uses in gas separation, carbon capture, and energy storage. Researchers are particularly excited about its role in creating luminescent materials for optoelectronic devices and sensors. The compound's thermal stability and predictable coordination geometry make it an ideal candidate for designing functional materials with tailored properties.

From a commercial perspective, the demand for Pyrimidine-2,5-dicarboxylic acid has been steadily increasing. Pharmaceutical companies and research institutions are the primary consumers, utilizing it as a key intermediate in drug discovery programs. The compound is typically supplied in high purity grades (≥98%) with comprehensive analytical data. Current market trends indicate growing interest from academic laboratories and industrial R&D departments, particularly in regions with strong biotechnology sectors. Suppliers are responding by improving production scalability and developing customized derivatives to meet specific research needs.

Quality control and safety considerations are paramount when working with Pyrimidine-2,5-dicarboxylic acid. Reputable manufacturers provide detailed technical specifications, including information on solubility (typically in polar solvents like DMSO or water at elevated temperatures), melting point characteristics, and storage recommendations (usually at room temperature in a dry environment). While the compound is generally considered stable under normal laboratory conditions, proper handling procedures should always be followed, including the use of personal protective equipment when handling powders or solutions.

Recent scientific publications have highlighted innovative applications of Pyrimidine-2,5-dicarboxylic acid in emerging technologies. One notable area is its use in designing molecular sensors for environmental monitoring, where its metal complexes demonstrate selective binding to specific analytes. Another promising direction involves incorporating the compound into biodegradable polymers for medical applications. These developments align with current research priorities in sustainable chemistry and advanced healthcare solutions, making Pyrimidine-2,5-dicarboxylic acid a compound to watch in coming years.

The future outlook for Pyrimidine-2,5-dicarboxylic acid research appears bright, with several potential breakthroughs on the horizon. Computational chemistry approaches are being employed to predict new derivatives with enhanced properties, while advances in synthetic methodology promise more efficient production routes. As the scientific community continues to explore the full potential of this versatile heterocyclic building block, we can anticipate novel applications in areas ranging from drug delivery systems to smart materials. The compound's unique combination of structural features and chemical reactivity ensures its ongoing relevance in multiple scientific disciplines.

Recommended suppliers
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk