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CS-W001157 4
Total: USD 88.00

2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid

  • CAS No. 117490-52-5

  • Cat. No. CS-0110508
  • Purity≥98%
  • MDL No.MFCD31806848

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

2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid|CS-0110508

Structure of 117490-52-5

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General Information

  • CAS No. 117490-52-5
  • Cat. No. CS-0110508
  • Purity ≥98%
  • MDL No. MFCD31806848
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₄O₄
  • Molecular Weight 270.28
  • Synonym(s) 2,2'-Dimethyl-4,4'-biphenyldicarboxylic acid
  • SMILES O=C(O)C=1C=CC(C2=CC=C(C=C2C)C(=O)O)=C(C1)C

Description

This biphenyl-based dicarboxylic acid features two methyl groups at the ortho positions of each phenyl ring, enhancing steric protection and stability. The carboxylic acid termini enable straightforward coupling reactions in polymer synthesis and metal-organic framework construction under standard conditions.

Application

2,2'-Dimethyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid serves as a versatile building block for constructing functionalized biphenyl scaffolds in medicinal chemistry and materials science. Its ortho-methyl groups enhance steric control and metabolic stability, while the dicarboxylic acid functionality enables facile derivatization via esterification, amide coupling, or metal coordination. The compound exhibits good bench stability and is compatible with standard purification methods, facilitating integration into multistep syntheses of advanced intermediates and macrocyclic architectures.

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   74.6
  • LogP   3.36684
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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