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CS-W001157 4
Total: USD 88.00

Ethyl 2-(4-fluorophenyl)-5-isopropoxybenzofuran-3-carboxylate

  • CAS No. 691856-87-8

  • Cat. No. CS-M1523
  • Purity≥98%
  • MDL No.MFCD12761218

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

Ethyl 2-(4-fluorophenyl)-5-isopropoxybenzofuran-3-carboxylate|CS-M1523

Structure of 691856-87-8

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General Information

  • CAS No. 691856-87-8
  • Cat. No. CS-M1523
  • Purity ≥98%
  • MDL No. MFCD12761218
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₉FO₄
  • Molecular Weight 342.36
  • Synonym(s) 3-Benzofurancarboxylic acid, 2-(4-fluorophenyl)-5-(1-Methylethoxy)-, ethyl ester
  • SMILES O=C(C1=C(C2=CC=C(F)C=C2)OC3=CC=C(OC(C)C)C=C13)OCC

Synthesis

  • Route1
    • Ethyl 2-(4-fluorophenyl)-5-hydroxybenzofuran-3-carboxylate|CS-M1522
      691856-86-7
    • null|null
      75-26-3
    • ~94%
    • Ethyl 2-(4-fluorophenyl)-5-isopropoxybenzofuran-3-carboxylate|CS-M1523
      691856-87-8

    References

    • ABBOTT LABORATORIES; ABBOTT GMBH and CO.KG; MARING, Clarence J.; PRATT, John K.; CARROLL, William A.; LIU, Dachun; BETEBENNER, David A.; HUTCHINSON, Douglas K.; TUFANO, Michael D.; ROCKWAY, Todd W.; SCHOEN, Uwe; PAHL, Axel; WITTE, Adreas Patent: WO2012/87833 A1, 2012 ; Location in patent: Page/Page column 120 ; WO 2012/087833 A1
  • Route2

    References

    • ABBOTT LABORATORIES; ABBOTT GMBH and CO.KG; MARING, Clarence J.; PRATT, John K.; CARROLL, William A.; LIU, Dachun; BETEBENNER, David A.; HUTCHINSON, Douglas K.; TUFANO, Michael D.; ROCKWAY, Todd W.; SCHOEN, Uwe; PAHL, Axel; WITTE, Adreas Patent: WO2012/87833 A1, 2012 ; WO 2012/087833 A1
  • Route3

    References

    • ABBOTT LABORATORIES; ABBOTT GMBH and CO.KG; MARING, Clarence J.; PRATT, John K.; CARROLL, William A.; LIU, Dachun; BETEBENNER, David A.; HUTCHINSON, Douglas K.; TUFANO, Michael D.; ROCKWAY, Todd W.; SCHOEN, Uwe; PAHL, Axel; WITTE, Adreas Patent: WO2012/87833 A1, 2012 ; WO 2012/087833 A1

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-H320-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   48.67
  • LogP   5.2028
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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