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CS-W001157 4
Total: USD 88.00

1,2,3-Trimethoxy-5-methylbenzene

  • CAS No. 6443-69-2

  • Cat. No. CS-W017113
  • Purity≥98%
  • MDL No.MFCD00008397

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

1,2,3-Trimethoxy-5-methylbenzene|CS-W017113

Structure of 6443-69-2

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General Information

  • CAS No. 6443-69-2
  • Cat. No. CS-W017113
  • Purity ≥98%
  • MDL No. MFCD00008397
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃
  • Molecular Weight 182.22
  • Synonym(s) 3,4,5-Trimethoxytoluene; 1,2,3-Trimethoxy-5-methylbenzene
  • SMILES C1=C(C(=C(C=C1C)OC)OC)OC

Description

3,4,5-Trimethoxytoluene was used as a substructure model compound in the reaction of trimethoprim with free available chlorine (i.e. HOCl).

Application

1,2,3-Trimethoxy-5-methylbenzene serves as a versatile aromatic building block in medicinal chemistry and agrochemical synthesis. Its three methoxy groups provide strong electron-donating effects, enhancing reactivity in electrophilic substitution reactions. The methyl group offers a site for further functionalization, while the trimethoxy pattern ensures good bench stability and solubility. This compound facilitates efficient access to complex heterocyclic scaffolds and is compatible with standard coupling protocols, making it a practical choice for iterative synthesis workflows.

Synthesis

  • Route1

    References

    • Xing, Lixin; Wang, Xinyan; Cheng, Chuanjie; Zhu, Rui; Liu, Bo; Hu, Yuefei Tetrahedron, 2007 , vol. 63, # 38 p. 9382 - 9386
  • Route2
    • null|null
      3840-31-1
    • ~97%
    • In-stock
      1,2,3-Trimethoxy-5-methylbenzene|CS-W017113
      6443-69-2

    References

    • Wang, Hu; Li, Li; Bai, Xing-Feng; Deng, Wen-Hui; Zheng, Zhan-Jiang; Yang, Ke-Fang; Xu, Li-Wen Green Chemistry, 2013 , vol. 15, # 9 p. 2349 - 2355
  • Route3
    • In-stock
      3,4,5-Trimethoxybenzaldehyde|CS-W010602
      86-81-7
    • ~9%
    • In-stock
      1,2,3-Trimethoxy-5-methylbenzene|CS-W017113
      6443-69-2
    • null|null
      3840-31-1

    References

    • Tetrahedron, , vol. 63, # 38 p. 9382 - 9386

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

Quality Control

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Computational Chemistry Data

  • TPSA   27.69
  • LogP   2.02082
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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