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Methyl 5-methyl-2-(pyrimidin-2-yl)benzoate

  • CAS No. 1088994-20-0

  • Cat. No. CS-0113691
  • Purity95+%
  • MDL No.MFCD23135805

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

Methyl 5-methyl-2-(pyrimidin-2-yl)benzoate|CS-0113691

Structure of 1088994-20-0

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General Information

  • CAS No. 1088994-20-0
  • Cat. No. CS-0113691
  • Purity 95+%
  • MDL No. MFCD23135805
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₂O₂
  • Molecular Weight 228.25
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC(C)=CC=C1C2=NC=CC=N2

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2008/147518 A1, 2008 ; Location in patent: Page/Page column 43; 45 ; WO 2008/147518 A1
  • Route2

    References

    • Girardin, Melina; Ouellet, Stephane G.; Gauvreau, Danny; Moore, Jeffrey C.; Hughes, Greg; Devine, Paul N.; O'Shea, Paul D.; Campeau, Louis-Charles Organic Process Research and Development, 2013 , vol. 17, # 1 p. 61 - 68
  • Route3

    References

    • Girardin, Melina; Ouellet, Stephane G.; Gauvreau, Danny; Moore, Jeffrey C.; Hughes, Greg; Devine, Paul N.; O'Shea, Paul D.; Campeau, Louis-Charles Organic Process Research and Development, 2013 , vol. 17, # 1 p. 61 - 68

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.23862
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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