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CS-W001157 4
Total: USD 88.00

2-Methyl-[1,1'-biphenyl]-4-carboxylic acid

  • CAS No. 178313-67-2

  • Cat. No. CS-0195807
  • Purity≥95%
  • MDL No.None

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

2-Methyl-[1,1'-biphenyl]-4-carboxylic acid|CS-0195807

Structure of 178313-67-2

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General Information

  • CAS No. 178313-67-2
  • Cat. No. CS-0195807
  • Purity ≥95%
  • MDL No. None
  • 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-Methyl-4-phenylbenzoic acid
  • SMILES CC1=CC(=CC=C1C2=CC=CC=C2)C(=O)O

Synthesis

  • Route1

    References

    • Chalker, Justin M.; Wood, Charlotte S. C.; Davis, Benjamin G. Journal of the American Chemical Society, 2009 , vol. 131, # 45 p. 16346 - 16347
  • Route2
    • Methyl 2-methyl-[1,1'-biphenyl]-4-carboxylate|CS-0677239
      892843-59-3
    • ~78%
    • 2-Methyl-[1,1'-biphenyl]-4-carboxylic acid|CS-0195807
      178313-67-2

    References

    • ELI LILLY AND COMPANY Patent: WO2006/66173 A2, 2006 ; Location in patent: Page/Page column 106 ; WO 2006/066173 A2
  • Route3
    • null|null
      856184-69-5
    • ~%
    • 2-Methyl-[1,1'-biphenyl]-4-carboxylic acid|CS-0195807
      178313-67-2

    References

    • Alder et al. Justus Liebigs Annalen der Chemie, 1954 , vol. 586, p. 110,125

Safety Information

Download SDS
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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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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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