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CS-W001157 4
Total: USD 88.00

Ethyl 2-oxo-2-(m-tolyl)acetate

  • CAS No. 66644-68-6

  • Cat. No. CS-0298742
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-oxo-2-(m-tolyl)acetate|CS-0298742

Structure of 66644-68-6

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General Information

  • CAS No. 66644-68-6
  • Cat. No. CS-0298742
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) Ethyl 3-methylbenzoylformate
  • SMILES CCOC(=O)C(=O)C1=CC=CC(=C1)C

Synthesis

  • Route1
    • null|null
      591-17-3
    • null|null
      95-92-1
    • ~80%
    • Ethyl 2-oxo-2-(m-tolyl)acetate|CS-0298742
      66644-68-6

    References

    • Hayashi, Masashi; Nakamura, Shuichi Angewandte Chemie - International Edition, 2011 , vol. 50, # 10 p. 2249 - 2252
  • Route2
    • null|null
      108-41-8
    • null|null
      4755-77-5
    • ~83%
    • Ethyl 2-oxo-2-(m-tolyl)acetate|CS-0298742
      66644-68-6

    References

    • Screttas, Constantinos G.; Steele, Barry R.; Micha-Screttas, Maria; Heropoulos, Georgios A. Organic Letters, 2012 , vol. 14, # 22 p. 5680 - 5683
  • Route3
    • null|null
      64-17-5
    • ~%
    • Ethyl 2-oxo-2-(m-tolyl)acetate|CS-0298742
      66644-68-6

    References

    • Chemische Berichte, , vol. 56, p. 1624

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.74082
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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