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CS-W001157 4
Total: USD 88.00

2-Fluoro-4-methylbenzoic acid methyl ester

  • CAS No. 74733-29-2

  • Cat. No. CS-0012595
  • Purity≥98%
  • MDL No.MFCD06204168

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

2-Fluoro-4-methylbenzoic acid methyl ester|CS-0012595

Structure of 74733-29-2

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General Information

  • CAS No. 74733-29-2
  • Cat. No. CS-0012595
  • Purity ≥98%
  • MDL No. MFCD06204168
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₂
  • Molecular Weight 168.17
  • Synonym(s) Methyl 2-fluoro-4-methylbenzoate
  • SMILES FC1=CC(C)=CC=C1C(OC)=O

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2-Fluoro-4-methylbenzoic acid|CS-W002990
      7697-23-6
    • ~10%
    • In-stock
      2-Fluoro-4-methylbenzoic acid methyl ester|CS-0012595
      74733-29-2

    References

    • PFIZER INC.; CAMERON, Kimberly O'Keefe; KRAUSS, Achim Hans-Peter; LEFKER, Bruce Allen; NAIR, Sajiv Krishnan; PRASANNA, Ganesh; RUI, Eugene Yuanjin Patent: WO2010/116270 A1, 2010 ; Location in patent: Page/Page column 55 ; WO 2010/116270 A1
  • Route2
    • null|null
      74-88-4
    • In-stock
      2-Fluoro-4-methylbenzoic acid|CS-W002990
      7697-23-6
    • ~79%
    • In-stock
      2-Fluoro-4-methylbenzoic acid methyl ester|CS-0012595
      74733-29-2

    References

    • Wang, Min; Davis, Toni; Gao, Mingzhang; Zheng, Qi-Huang Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 7 p. 1742 - 1747
  • Route3
    • null|null
      67-56-1
    • null|null
      59189-98-9
    • ~%
    • In-stock
      2-Fluoro-4-methylbenzoic acid methyl ester|CS-0012595
      74733-29-2

    References

    • Yea, Christopher M.; Allan, Christine E.; Ashworth, Doreen M.; Barnett, James; Baxter, Andy J.; Broadbridge, Janice D.; Franklin, Richard J.; Hampton, Sally L.; Hudson, Peter; Horton, John A.; Jenkins, Paul D.; Penson, Andy M.; Pitt, Gary R. W.; Riviere, Pierre; Robson, Peter A.; Rooker, David P.; Semple, Graeme; Sheppard, Andy; Haigh, Robert M.; Roe, Michael B. Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 8124 - 8134

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   26.3
  • LogP   1.92072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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