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Methyl 4'-methyl-[1,1'-biphenyl]-3-carboxylate

  • CAS No. 114772-33-7

  • Cat. No. CS-0441451
  • Purity≥98%
  • MDL No.None

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

Methyl 4'-methyl-[1,1'-biphenyl]-3-carboxylate|CS-0441451

Structure of 114772-33-7

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General Information

  • CAS No. 114772-33-7
  • Cat. No. CS-0441451
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄O₂
  • Molecular Weight 226.27
  • Synonym(s) Methyl 3-(4-methylphenyl)benzoate
  • SMILES CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC

Synthesis

  • Route1

    References

    • Sreedhar; Yada, Divya; Reddy, P. Surendra Advanced Synthesis and Catalysis, 2011 , vol. 353, # 14-15 p. 2823 - 2836
  • Route2

    References

    • Sanchez, Ana I.; Martinez-Barrasa, Valentin; Burgos, Carolina; Vaquero, Juan J.; Alvarez-Builla, Julio; Terricabras, Emma; Segarra, Victor Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 8 p. 2370 - 2378
  • Route3

    References

    • Paul, Gitendra C.; De Clercq, Erik; Pannecouque, Christophe; Witvrouw, Myriam; Loftus, Tracy L.; Turpin, Jim A.; Buckheit Jr., Robert W.; Cushman, Mark Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 18 p. 2149 - 2152

Safety Information

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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.44862
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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