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CS-W001157 4
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Methyl 4-acetoxy-2-methylbenzofuran-6-carboxylate

  • CAS No. 37978-61-3

  • Cat. No. CS-0451880
  • Molecule weight248.23
  • Purity≥98%
  • MDL No.None

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

Methyl 4-acetoxy-2-methylbenzofuran-6-carboxylate|CS-0451880

Structure of 37978-61-3

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General Information

  • CAS No. 37978-61-3
  • Cat. No. CS-0451880
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂O₅
  • Molecular Weight 248.23
  • Synonym(s) 6-Benzofurancarboxylic acid, 4-(acetyloxy)-2-methyl-, methyl ester
  • SMILES CC1=CC2=C(C=C(C=C2OC(=O)C)C(=O)OC)O1

Synthesis

  • Route1
    • (e)-3-(Methoxycarbonyl)-4-(5-methylfuran-2-yl)but-3-enoic acid|CS-0664191
      37978-59-9
    • ~92%
    • Methyl 4-acetoxy-2-methylbenzofuran-6-carboxylate|CS-0451880
      37978-61-3

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/46139 A1, 2004 ; Location in patent: Page 27 ; WO 2004/046139 A1

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   65.74
  • LogP   2.45312
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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