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CS-W001157 4
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5''-(4'-Formyl-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarbaldehyde

  • CAS No. 805246-78-0

  • Cat. No. CS-0111185
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5''-(4'-Formyl-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarbaldehyde|CS-0111185

Structure of 805246-78-0

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General Information

  • CAS No. 805246-78-0
  • Cat. No. CS-0111185
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₅H₃₀O₃
  • Molecular Weight 618.72
  • Synonym(s) 4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
  • SMILES O=CC1=CC=C(C2=CC=C(C3=CC(C4=CC=C(C5=CC=C(C=O)C=C5)C=C4)=CC(C6=CC=C(C7=CC=C(C=O)C=C7)C=C6)=C3)C=C2)C=C1

Description

This quinquephenyl-based aldehyde features a central biphenyl scaffold bearing formyl and aldehyde functionalities at terminal positions, enabling its use in conjugation chemistry and molecular assembly. The extended π-system supports electronic delocalization, while the multiple aldehyde groups facilitate efficient coupling reactions under mild conditions.

Application

5''-(4'-Formyl-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarbaldehyde serves as a versatile multi-functional building block for the synthesis of complex conjugated systems. Its extended π-conjugated backbone and two aldehyde groups enable efficient coupling reactions, including reductive amination and Stetter-type processes. The molecule exhibits bench stability and facilitates straightforward purification, making it well-suited for applications in organic electronics and targeted heterocycle construction.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   51.21
  • LogP   11.1261
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   9

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