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CS-W001157 4
Total: USD 88.00

Methyl 3-methylbenzoate

  • CAS No. 99-36-5

  • Cat. No. CS-0008741
  • Purity≥95%
  • MDL No.MFCD00008436

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

Methyl 3-methylbenzoate|CS-0008741

Structure of 99-36-5

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General Information

  • CAS No. 99-36-5
  • Cat. No. CS-0008741
  • Purity ≥95%
  • MDL No. MFCD00008436
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.17
  • Synonym(s) m-Toluic Acid Methyl Ester
  • SMILES CC1=CC=CC(C(OC)=O)=C1

Description

Methyl 3-methylbenzoate is a bench-stable, moisture-tolerant ester featuring a para-methyl-substituted aromatic ring. This electron-rich scaffold integrates readily into cross-coupling sequences and serves as a robust building block in synthetic organic chemistry workflows.

Application

Methyl 3-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic systems via standard functional group transformations. Its methyl ester group facilitates nucleophilic acyl substitution and reduction, while the meta-methyl substituent provides steric and electronic modulation. The compound exhibits excellent bench stability, simplifies purification, and functions reliably in coupling reactions, making it a practical choice for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Mendeleev Communications, , # 5 p. 207 - 208
  • Route2
    • null|null
      201230-82-2
    • null|null
      591-17-3
    • ~81%
    • In-stock
      Methyl 3-methylbenzoate|CS-0008741
      99-36-5
    • In-stock
      3-Methylbenzoic acid|CS-0008583
      99-04-7

    References

    • Journal of Organic Chemistry, , vol. 60, # 26 p. 8336 - 8340
  • Route3
    • null|null
      67-56-1
    • null|null
      591-17-3
    • null|null
      68-12-2
    • ~81%
    • N,N,3-Trimethylbenzamide|CS-0205089
      6935-65-5
    • In-stock
      Methyl 3-methylbenzoate|CS-0008741
      99-36-5

    References

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

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.78162
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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