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Ethyl 2-methyl-5-phenylfuran-3-carboxylate

  • CAS No. 29113-64-2

  • Cat. No. CS-0361462
  • Molecule weight230.26
  • Purity≥95%
  • MDL No.None

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

Ethyl 2-methyl-5-phenylfuran-3-carboxylate|CS-0361462

Structure of 29113-64-2

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General Information

  • CAS No. 29113-64-2
  • Cat. No. CS-0361462
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄O₃
  • Molecular Weight 230.26
  • Synonym(s) 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester
  • SMILES O=C(C1=C(C)OC(C2=CC=CC=C2)=C1)OCC

Synthesis

  • Route1
    • Jedi1|CS-0239814
      108124-17-0
    • null|null
      75-03-6
    • ~99%
    • Ethyl 2-methyl-5-phenylfuran-3-carboxylate|CS-0361462
      29113-64-2

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2210876 A1, 2010 ; Location in patent: Page/Page column 70; 113 ;
  • Route2

    References

    • He, Chuan; Guo, Sheng; Ke, Jie; Hao, Jing; Xu, Huan; Chen, Hongyi; Lei, Aiwen Journal of the American Chemical Society, 2012 , vol. 134, # 13 p. 5766 - 5769
  • Route3

    References

    • Cui, Xin; Xu, Xue; Wojtas, Lukasz; Kim, Martin M.; Zhang, X. Peter Journal of the American Chemical Society, 2012 , vol. 134, # 49 p. 19981 - 19984

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   39.44
  • LogP   3.43172
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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