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CS-W001157 4
Total: USD 88.00

p-Toluic acid, ethyl ester

  • CAS No. 94-08-6

  • Cat. No. CS-W020602
  • Purity≥98%
  • MDL No.None

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

p-Toluic acid, ethyl ester|CS-W020602

Structure of 94-08-6

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General Information

  • CAS No. 94-08-6
  • Cat. No. CS-W020602
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) Ethyl 4-methylbenzoate; Ethyl p-methylbenzoate; Ethyl p-toluate; NSC 24767; p-Toluic Acid Ethyl Ester
  • SMILES O=C(OCC)C1=CC=C(C)C=C1

Description

Ethyl 4-methylbenzoate was used in the synthesis of ethyl 4-(bromomethyl)benzoate.

Application

Ethyl 4-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoic acid derivatives and aromatic heterocycles. Its ester functionality tolerates a range of reaction conditions, facilitating nucleophilic acyl substitution, hydrogenation, and coupling reactions. The para-methyl group enhances stability and aids in purification, making it well-suited for bench-scale synthesis and process development.

Synthesis

  • Route1
    • null|null
      64-17-5
    • null|null
      201230-82-2
    • In-stock
      1-Iodo-4-methylbenzene|CS-W009210
      624-31-7
    • ~96%
    • In-stock
      p-Toluic acid, ethyl ester|CS-W020602
      94-08-6

    References

    • Organic and Biomolecular Chemistry, , vol. 5, # 1 p. 65 - 68
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 134, # 30 p. 12374 - 12377
  • Route3

    References

    • Tetrahedron Letters, , vol. 53, # 43 p. 5796 - 5799

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   26.3
  • LogP   2.17172
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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