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CS-W001157 4
Total: USD 88.00

Methyl 2,6-difluorobenzoate

  • CAS No. 13671-00-6

  • Cat. No. CS-M0553
  • Purity≥98%
  • MDL No.MFCD00051778

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

Methyl 2,6-difluorobenzoate|CS-M0553

Structure of 13671-00-6

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General Information

  • CAS No. 13671-00-6
  • Cat. No. CS-M0553
  • Purity ≥98%
  • MDL No. MFCD00051778
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₂
  • Molecular Weight 172.13
  • Synonym(s) Benzoic acid, 2,6-difluoro-, Methyl ester
  • SMILES O=C(OC)C(C(F)=CC=C1)=C1F

Description

Methyl 2,6-difluorobenzoate is a fluorinated aromatic ester. It can be synthesized from 2,6-difluorobenzoic acid via esterification with methanol.Methyl 2,6-difluorobenzoate may be used in the synthesis of 9-hydroxy-13-(2,6-difluorophenyl)-3H-dibenzo[b,i]xanthen-3-one and 2,6-difluorobenzohydroxamic acid.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2,6-Difluorobenzoic acid|CS-M0554
      385-00-2
    • ~74%
    • In-stock
      Methyl 2,6-difluorobenzoate|CS-M0553
      13671-00-6

    References

    • GLAXOSMITHKLINE LLC; ADAMS, Jerry, Leroy; FAITG, Thomas; KASPAREC, Jiri; PENG, Xin; RALPH, Jeffrey; RHEAULT, Tara Renae; WATERSON, Alex Gregory Patent: WO2011/59610 A1, 2011 ; Location in patent: Page/Page column 101-102 ; WO 2011/059610 A1
  • Route2
    • null|null
      67-56-1
    • null|null
      372-18-9
    • null|null
      68-12-2
    • ~57%
    • In-stock
      2,6-Difluorobenzaldehyde|CS-W007380
      437-81-0
    • In-stock
      Methyl 2,6-difluorobenzoate|CS-M0553
      13671-00-6

    References

    • Tetrahedron, , vol. 68, # 24 p. 4701 - 4709
  • Route3

    References

    • European Journal of Organic Chemistry, , # 19 p. 3351 - 3358

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.7514
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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