Description

4-([1,1′-Biphenyl]-3-yl)-2-chloro-6-phenylpyrimidine (CAS: 1624289-88-8) is a high-purity, synthetic organic compound with the molecular formula C₂₂H₁₅ClN₂. This chlorinated pyrimidine derivative features a biphenyl-phenyl substitution pattern, making it a valuable intermediate in pharmaceutical and materials science research. The compound is characterized by its rigid, planar structure, which is ideal for studying π-π stacking interactions in supramolecular chemistry. Available in quantities from milligrams to grams, it is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, and HPLC purity reports (>95%). Proper storage under inert atmosphere at -20°C is recommended to ensure long-term stability.

Properties

• CAS Number: 1624289-88-8
• Complexity: 403
• IUPAC Name: 2-chloro-4-phenyl-6-(3-phenylphenyl)pyrimidine
• InChI: InChI=1S/C22H15ClN2/c23-22-24-20(17-10-5-2-6-11-17)15-21(25-22)19-13-7-12-18(14-19)16-8-3-1-4-9-16/h1-15H
• InChI Key: MKPNUHFMRYNRPU-UHFFFAOYSA-N
• Exact Mass: 342.0923762
• Molecular Formula: C22H15ClN2
• Molecular Weight: 342.8
• SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)Cl
• Topological: 25.8
• Monoisotopic Mass: 342.0923762
• Synonyms: 1624289-88-8, 4-([1,1′-Biphenyl]-3-yl)-2-chloro-6-phenylpyrimidine, 4-Biphenyl-3-yl-2-chloro-6-phenyl-pyrimidine, 4-{[1,1′-biphenyl]-3-yl}-2-chloro-6-phenylpyrimidine, SCHEMBL19383481, MFCD32709695, BS-53546, F74720

Application

This compound serves as a key building block in the synthesis of advanced materials and pharmaceutical candidates. Researchers utilize its rigid, aromatic structure to develop novel kinase inhibitors and other heterocyclic therapeutics. Its extended π-conjugation makes it suitable for organic electronic applications, including OLED and OFET material development. The chloro-substitution offers a reactive handle for further functionalization via cross-coupling reactions.

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