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CS-W001157 4
Total: USD 88.00

2-Fluoro-3-(methoxycarbonyl)benzoic acid

  • CAS No. 914301-44-3

  • Cat. No. CS-0051908
  • Purity≥97%
  • MDL No.None

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

2-Fluoro-3-(methoxycarbonyl)benzoic acid|CS-0051908

Structure of 914301-44-3

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General Information

  • CAS No. 914301-44-3
  • Cat. No. CS-0051908
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇FO₄
  • Molecular Weight 198.15
  • Synonym(s) 1,3-BENZENEDICARBOXYLIC ACID, 2-FLUORO-, 1-METHYL ESTER
  • SMILES COC(=O)C1=C(F)C(=CC=C1)C(O)=O

Synthesis

  • Route1
    • Dimethyl 2-fluoroisophthalate|CS-0580256
      723334-03-0
    • ~77%
    • In-stock
      2-Fluoro-3-(methoxycarbonyl)benzoic acid|CS-0051908
      914301-44-3

    References

    • Jeil Pharmaceutical Co., Ltd. Patent: EP2452931 A2, 2012 ; Location in patent: Page/Page column 10 ;
  • Route2
    • Dimethyl 2-fluoroisophthalate|CS-0580256
      723334-03-0
    • ~46%
    • In-stock
      2-Fluoro-3-(methoxycarbonyl)benzoic acid|CS-0051908
      914301-44-3
    • In-stock
      2-Fluoroisophthalic acid|CS-0051902
      1583-65-9

    References

    • Rosenstroem, Ulrika; Skoeld, Christian; Lindeberg, Gunnar; Botros, Milad; Nyberg, Fred; Karlen, Anders; Hallberg, Anders Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6133 - 6137
  • Route3
    • null|null
      67-56-1
    • In-stock
      2-Fluoroisophthalic acid|CS-0051902
      1583-65-9
    • ~39%
    • In-stock
      2-Fluoro-3-(methoxycarbonyl)benzoic acid|CS-0051908
      914301-44-3

    References

    • Rosenstroem, Ulrika; Skoeld, Christian; Lindeberg, Gunnar; Botros, Milad; Nyberg, Fred; Karlen, Anders; Hallberg, Anders Journal of Medicinal Chemistry, 2006 , vol. 49, # 20 p. 6133 - 6137

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   63.6
  • LogP   1.3105
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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