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3'-Methyl[1,1'-biphenyl]-3-carboxylic acid

  • CAS No. 158619-46-6

  • Cat. No. CS-0153226
  • Molecule weight212.24
  • Purity≥98%
  • MDL No.MFCD00558892

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

3'-Methyl[1,1'-biphenyl]-3-carboxylic acid|CS-0153226

Structure of 158619-46-6

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General Information

  • CAS No. 158619-46-6
  • Cat. No. CS-0153226
  • Purity ≥98%
  • MDL No. MFCD00558892
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₂
  • Molecular Weight 212.24
  • Synonym(s) 3'-Methylbiphenyl-3-carboxylic acid
  • SMILES CC1=CC(=CC=C1)C2=CC(=CC=C2)C(=O)O

Synthesis

  • Route1

    References

    • Najera, Carmen; Gil-Molto, Juan; Karlstroem, Sofia Advanced Synthesis and Catalysis, 2004 , vol. 346, # 13-15 p. 1798 - 1811
  • Route2

    References

    • Univeristy of Pittsburgh Patent: US5965539 A1, 1999 ;
  • Route3
    • Methyl 3'-methyl-[1,1'-biphenyl]-3-carboxylate|CS-0444319
      128460-74-2
    • ~98%
    • In-stock
      3'-Methyl[1,1'-biphenyl]-3-carboxylic acid|CS-0153226
      158619-46-6

    References

    • Qian, Yimin; Vogt, Andreas; Sebti, Said M.; Hamilton, Andrew D. Journal of Medicinal Chemistry, 1996 , vol. 39, # 1 p. 217 - 223

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.36022
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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