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CS-W001157 4
Total: USD 88.00

Methyl 4-(2-methoxyphenyl)-4-oxobutanoate

  • CAS No. 99046-13-6

  • Cat. No. CS-0126648
  • Purity≥98%
  • MDL No.MFCD06245363

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

Methyl 4-(2-methoxyphenyl)-4-oxobutanoate|CS-0126648

Structure of 99046-13-6

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General Information

  • CAS No. 99046-13-6
  • Cat. No. CS-0126648
  • Purity ≥98%
  • MDL No. MFCD06245363
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) Methyl 4-(2-metoxyphenyl)-4-oxobutanoate
  • SMILES O=C(OC)CCC(C1=CC=CC=C1OC)=O

Synthesis

  • Route1
    • null|null
      39560-34-4
    • null|null
      74-88-4
    • ~87%
    • Methyl 4-(2-methoxyphenyl)-4-oxobutanoate|CS-0126648
      99046-13-6

    References

    • Zhang, Yong; Jung, Seo Yoon; Jin, Changbae; Kim, Nam Doo; Gong, Ping; Lee, Yong Sup Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 2 p. 502 - 507
  • Route2
    • null|null
      13139-86-1
    • ~%
    • Methyl 4-(2-methoxyphenyl)-4-oxobutanoate|CS-0126648
      99046-13-6

    References

    • Dauben; Tanabe Journal of the American Chemical Society, 1949 , vol. 71, p. 2877 Full Text View citing articles Show Details Dauben; Tilles Journal of Organic Chemistry, 1950 , vol. 15, p. 785,787
  • Route3

    References

    • Frenette, R.; Monette, M.; Bernstein, M. A.; Young, R. N.; Verhoeven, T. R. Journal of Organic Chemistry, 1991 , vol. 56, p. 3083 - 3089

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.8311
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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