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CS-W001157 4
Total: USD 88.00

Ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate

  • CAS No. 147118-30-7

  • Cat. No. CS-0151856
  • Molecule weight395.45
  • Purity≥98%
  • MDL No.MFCD12828196

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

Ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate|CS-0151856

Structure of 147118-30-7

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General Information

  • CAS No. 147118-30-7
  • Cat. No. CS-0151856
  • Purity ≥98%
  • MDL No. MFCD12828196
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₂FN₃O₄S
  • Molecular Weight 395.45
  • Synonym(s) 4-(4-Fluorophenyl)-6-isopropyl-2-[(Methanesulfonyl)MethylaMino]pyriMidine-5-carboxylic acid ethyl ester
  • SMILES CCOC(=O)C1=C(C(C)C)N=C(N=C1C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

Synthesis

  • Route1
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • ~%
    • Ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate|CS-0151856
      147118-30-7

    References

    • Watanabe, Masamichi; Koike, Haruo; Ishiba, Teruyuki; Okada, Tetsuo; Seo, Shujiro; Hirai, Kentaro Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 2 p. 437 - 444
  • Route2
    • Ethyl 2-(4-fluorobenzylidene)-4-methyl-3-oxopentanoate|CS-1223592
      122930-45-4
    • ~%
    • Ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate|CS-0151856
      147118-30-7

    References

    • Watanabe, Masamichi; Koike, Haruo; Ishiba, Teruyuki; Okada, Tetsuo; Seo, Shujiro; Hirai, Kentaro Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 2 p. 437 - 444
  • Route3
    • Ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylthio)pyrimidine-5-carboxylate|CS-0808622
      147118-27-2
    • ~%
    • Ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidine-5-carboxylate|CS-0151856
      147118-30-7

    References

    • Watanabe, Masamichi; Koike, Haruo; Ishiba, Teruyuki; Okada, Tetsuo; Seo, Shujiro; Hirai, Kentaro Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 2 p. 437 - 444

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   89.46
  • LogP   2.9786
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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