Description

4′-Cyano-[1,1′-biphenyl]-4-yl 4-(allyloxy)benzoate (CAS No. 137733-61-0) is a high-purity organic compound with the molecular formula C₂₃H₁₇NO₃. This specialized chemical features a biphenyl core functionalized with a cyano group at the 4′-position and an ester linkage to a 4-(allyloxy)benzoate moiety. The compound is characterized by its unique molecular architecture, which combines π-conjugated systems with reactive allyl and ester functionalities, making it valuable for advanced materials research. With a molecular weight of 355.39 g/mol, this compound is supplied as a solid and is suitable for use in liquid crystal synthesis, polymer modification, and other applications requiring tailored organic intermediates. Its structural features enable precise control over molecular alignment and intermolecular interactions, making it particularly useful in optoelectronic and photonic material development.

Properties

• CAS Number: 137733-61-0
• Complexity: 527
• IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-allyloxybenzoate
• InChI: InChI=1S/C23H17NO3/c1-2-15-26-21-11-9-20(10-12-21)23(25)27-22-13-7-19(8-14-22)18-5-3-17(16-24)4-6-18/h2-14H,1,15H2
• InChI Key: AYRULUNDHUTOLS-UHFFFAOYSA-N
• Exact Mass: 355.12084340
• Molecular Formula: C23H17NO3
• Molecular Weight: 355.4
• SMILES: C=CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
• Topological: 59.3
• Monoisotopic Mass: 355.12084340
• Synonyms: 4′-Cyano-[1,1′-biphenyl]-4-yl 4-(allyloxy)benzoate, 137733-61-0, SCHEMBL5855876, AYRULUNDHUTOLS-UHFFFAOYSA-N, MFCD00610052, Benzoic acid, 4-(2-propen-1-yloxy)-, 4′-cyano[1,1′-biphenyl]-4-yl ester, DB-425969, G68124, [4-(4-cyanophenyl)phenyl] 4-prop-2-enoxybenzoate, 4′-Cyano[1,1′-biphenyl]-4-yl 4-(2-propen-1-yloxy)benzoate

Application

This compound is primarily employed in the synthesis of advanced liquid crystalline materials due to its biphenyl core and functionalized ester linkage, which promote mesophase formation. Researchers utilize it in the development of electro-optical devices, such as displays and photonic switches, where controlled molecular alignment is critical. Additionally, its allyloxy group offers a reactive handle for further chemical modifications, including polymer grafting or cross-linking reactions.

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