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CS-W001157 4
Total: USD 88.00

2-Ethylbenzoic acid

  • CAS No. 612-19-1

  • Cat. No. CS-W004346
  • Purity≥98%
  • MDL No.MFCD00045838

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

2-Ethylbenzoic acid|CS-W004346

Structure of 612-19-1

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General Information

  • CAS No. 612-19-1
  • Cat. No. CS-W004346
  • Purity ≥98%
  • MDL No. MFCD00045838
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.17
  • Synonym(s) N-[(3Z)-5-(ethylamino)-3H-1,2-dithiol-3-ylidene]ethanaminium iodide
  • SMILES CCC1=CC=CC=C1C(O)=O

Description

2-Ethylbenzoic acid has been employed:as substrate for microbial asymmetric synthesis of (S)-3-methylphthalidein synthesis of -lactones and bis(2-ethylbenzoyl)peroxide

Application

2-Ethylbenzoic acid serves as a versatile building block in medicinal chemistry and materials science, offering a robust aromatic core with orthogonal functional handles. Its carboxylic acid group enables direct amidation, esterification, or coupling reactions under standard conditions, while the adjacent ethyl substituent provides steric and electronic modulation. The compound exhibits good bench stability and is readily purified by recrystallization, facilitating integration into multi-step syntheses of heterocyclic scaffolds and functionalized intermediates.

Synthesis

  • Route1

    References

    • Reimann, Eberhard; Erdle, Wolfgang; Weigl, Claudia; Polborn, Kurt Monatshefte fur Chemie, 1999 , vol. 130, # 2 p. 313 - 326
  • Route2
    • o-Toluic acid Tolvaptan  Impurity|CS-0229343
      118-90-1
    • null|null
      74-88-4
    • ~85%
    • In-stock
      2-Ethylbenzoic acid|CS-W004346
      612-19-1

    References

    • Reimann, Eberhard; Erdle, Wolfgang; Weigl, Claudia; Polborn, Kurt Monatshefte fur Chemie, 1999 , vol. 130, # 2 p. 313 - 326
  • Route3

    References

    • Chemische Berichte, , vol. 10, p. 2209

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.9472
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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