Cas no 946855-77-2 (4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine)

4,6-Dichloro-5-(2-fenildiazenil)-2-(propiltio)pirimidina is a heterocyclic compound featuring a pyrimidine core substituted with dichloro, phenylazo, and propylthio functional groups. This structure imparts unique reactivity, making it valuable in synthetic organic chemistry, particularly as an intermediate in the preparation of more complex molecules. The dichloro and phenylazo groups enhance electrophilic character, facilitating nucleophilic substitution reactions, while the propylthio moiety contributes to lipophilicity, influencing solubility and binding properties. Its well-defined molecular architecture allows for precise modifications in pharmaceutical and agrochemical research. The compound’s stability under standard conditions ensures consistent performance in synthetic applications. Analytical characterization is typically confirmed via NMR, HPLC, and mass spectrometry.
4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine structure
946855-77-2 structure
Product Name:4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine
CAS No:946855-77-2
MF:C13H12Cl2N4S
MW:327.232178688049
CID:4551796
PubChem ID:58361824
Update Time:2025-10-27

4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine
    • Pyrimidine, 4,6-dichloro-5-(2-phenyldiazenyl)-2-(propylthio)-
    • (E)-4,6-dichloro-5-(phenyldiazenyl)-2-(propylthio)pyrimidine
    • WMB85577
    • 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine (ACI)
    • SCHEMBL594835
    • CS-15073
    • AKOS037650618
    • CS-M3514
    • 946855-77-2
    • Inchi: 1S/C13H12Cl2N4S/c1-2-8-20-13-16-11(14)10(12(15)17-13)19-18-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/b19-18+
    • InChI Key: CHMWELOETJHCTM-VHEBQXMUSA-N
    • SMILES: ClC1=C(C(=NC(=N1)SCCC)Cl)/N=N/C1C=CC=CC=1

Computed Properties

  • Exact Mass: 326.0159730g/mol
  • Monoisotopic Mass: 326.0159730g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 301
  • 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: 5.6
  • Topological Polar Surface Area: 75.8

4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine Pricemore >>

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4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Pyridine ,  Phosphorus oxychloride Solvents: Methylcyclohexane ;  30 min, 70 °C; 5.5 h, 90 °C
Reference
metal-catalyzed reduction of 5-(aryl-diazenyl)-4,6-dihalo-pyrimidine
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Toluene ;  70 °C → 94 °C; 4.5 h, 94 °C
Reference
Method for preparation of ticagrelor and intermediates
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4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine Raw materials

4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine Preparation Products

Additional information on 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine

Comprehensive Overview of 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine (CAS No. 946855-77-2)

4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine (CAS No. 946855-77-2) is a specialized pyrimidine derivative that has garnered significant attention in the fields of organic chemistry and pharmaceutical research. This compound, characterized by its unique diazenyl and propylthio functional groups, exhibits intriguing chemical properties that make it a valuable intermediate in synthetic applications. Researchers and industry professionals are increasingly exploring its potential in the development of novel materials and bioactive molecules, aligning with the growing demand for high-performance chemical intermediates.

The structural complexity of 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine offers a versatile platform for further chemical modifications. Its pyrimidine core is a common motif in many pharmaceuticals and agrochemicals, which has led to heightened interest in its synthetic pathways and reactivity. Recent studies have focused on optimizing its synthesis to improve yield and purity, addressing the need for cost-effective and scalable production methods. This aligns with the broader trend in chemical manufacturing toward sustainable and efficient processes, a topic frequently searched by professionals in the field.

One of the most discussed aspects of CAS No. 946855-77-2 is its potential role in drug discovery. The compound's ability to serve as a building block for more complex molecules has made it a subject of interest in medicinal chemistry. For instance, its chloro and diazenyl substituents provide reactive sites for further functionalization, enabling the creation of targeted therapeutics. This has sparked conversations in online forums and academic circles about its applicability in precision medicine and small-molecule drug development, both of which are trending topics in the pharmaceutical industry.

In addition to its pharmaceutical applications, 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine has also been explored in material science. Its unique electronic properties, derived from the conjugated diazenyl group, make it a candidate for use in organic semiconductors and photovoltaic materials. With the global push toward renewable energy and advanced electronics, researchers are actively investigating how such compounds can contribute to the development of next-generation technologies. This intersection of chemistry and materials science is a hot topic in both academic and industrial research.

From a commercial perspective, the demand for CAS No. 946855-77-2 is driven by its versatility and the growing need for specialty chemicals in various sectors. Suppliers and manufacturers are increasingly listing this compound in their catalogs, catering to the needs of research institutions and chemical enterprises. Online searches for buy 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine or suppliers of pyrimidine derivatives reflect this rising interest. Ensuring consistent quality and availability remains a priority for stakeholders in the supply chain.

In summary, 4,6-Dichloro-5-(2-phenyldiazenyl)-2-(propylthio)pyrimidine (CAS No. 946855-77-2) represents a compelling case study in the convergence of chemistry, pharmaceuticals, and materials science. Its multifaceted applications and the ongoing research into its properties underscore its importance in modern scientific endeavors. As the chemical industry continues to evolve, compounds like this will likely play a pivotal role in addressing some of the most pressing challenges in healthcare, energy, and technology.

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