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CS-W001157 4
Total: USD 88.00

3-(Methoxycarbonyl)benzoic acid

  • CAS No. 1877-71-0

  • Cat. No. CS-W005020
  • Purity≥97%
  • MDL No.MFCD00029972

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

3-(Methoxycarbonyl)benzoic acid|CS-W005020

Structure of 1877-71-0

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General Information

  • CAS No. 1877-71-0
  • Cat. No. CS-W005020
  • Purity ≥97%
  • MDL No. MFCD00029972
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight None
  • Synonym(s) Monomethyl isophthalate, (Isophthalic acid monomethyl ester)
  • SMILES C(C1=CC(=CC=C1)C(=O)O)(=O)OC

Description

3-(Methoxycarbonyl)benzoic acid features a para-substituted benzoic acid scaffold with a methoxycarbonyl group enhancing electrophilicity at the carbonyl carbon. This electron-withdrawing moiety facilitates efficient amidation and esterification reactions under mild conditions. The compound exhibits excellent solubility in common organic solvents and stability under standard bench handling, enabling seamless integration into synthetic workflows involving carboxylic acid functionalization.

Synthesis

  • Route1

    References

    • Umbreen, Sumaira; Brockhaus, Manfred; Ehrenberg, Helmut; Schmidt, Boris European Journal of Organic Chemistry, 2006 , # 20 p. 4585 - 4595
  • Route2
    • null|null
      201230-82-2
    • In-stock
      Methyl 3-bromobenzoate|CS-W005465
      618-89-3
    • ~82%
    • In-stock
      3-(Methoxycarbonyl)benzoic acid|CS-W005020
      1877-71-0

    References

    • WARNER-LAMBERT COMPANY LLC Patent: WO2004/14366 A1, 2004 ; Location in patent: Page/Page column 107-108 ; WO 2004/014366 A1
  • Route3
    • Methyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate|CS-0699005
      585524-77-2
    • null|null
      124-38-9
    • ~69%
    • In-stock
      3-(Methoxycarbonyl)benzoic acid|CS-W005020
      1877-71-0

    References

    • Ukai, Kazutoshi; Aoki, Masao; Takaya, Jun; Iwasawa, Nobuharu Journal of the American Chemical Society, 2006 , vol. 128, # 27 p. 8706 - 8707

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.1714
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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