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CS-W001157 4
Total: USD 88.00

methyl 4-(pyridin-4-yl)benzoate

  • CAS No. 106047-17-0

  • Cat. No. CS-0005706
  • Purity≥97%
  • MDL No.MFCD04114575

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

methyl 4-(pyridin-4-yl)benzoate|CS-0005706

Structure of 106047-17-0

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General Information

  • CAS No. 106047-17-0
  • Cat. No. CS-0005706
  • Purity ≥97%
  • MDL No. MFCD04114575
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂
  • Molecular Weight 213.23
  • Synonym(s) METHYL 4-PYRIDIN-4-YL-BENZATE
  • SMILES O=C(OC)C1=CC=C(C2=CC=NC=C2)C=C1

Synthesis

  • Route1

    References

    • Drewry, David Harold; Jung, David Kendall; Linn, James Andrew; Hunter, Robert Neil; Lee, Dennis; Stavenger, Robert A.; Sehon, Clark Patent: US2008/275062 A1, 2008 ; Location in patent: Page/Page column 11 ;
  • Route2
    • null|null
      1120-87-2
    • In-stock
      Methyl 4-boronobenzoate|CS-W003977
      99768-12-4
    • ~27%
    • In-stock
      methyl 4-(pyridin-4-yl)benzoate|CS-0005706
      106047-17-0

    References

    • Boehringer Ingelheim International GmbH Patent: US2004/242572 A1, 2004 ; Location in patent: Page/Page column 73 ;
  • Route3
    • In-stock
      Methyl 4-bromobenzoate|CS-W004846
      619-42-1
    • null|null
      93830-58-1
    • ~77%
    • In-stock
      methyl 4-(pyridin-4-yl)benzoate|CS-0005706
      106047-17-0

    References

    • Ishikura; Ohta; Terashima Chemical and Pharmaceutical Bulletin, 1985 , vol. 33, # 11 p. 4755 - 4763

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H320-H371-H400
Precautionary Statements : P260-P264-P270-P273-P330-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.5352
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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