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CS-W001157 4
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Methyl 2-(4-chlorophenyl)-2-methylpropanoate

  • CAS No. 57225-86-2

  • Cat. No. CS-0465868
  • Purity≥98%
  • MDL No.MFCD09865030

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

Methyl 2-(4-chlorophenyl)-2-methylpropanoate|CS-0465868

Structure of 57225-86-2

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General Information

  • CAS No. 57225-86-2
  • Cat. No. CS-0465868
  • Purity ≥98%
  • MDL No. MFCD09865030
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClO₂
  • Molecular Weight 212.67
  • Synonym(s) Methyl 2-(4-chlorophenyl)-2-methylpropionate
  • SMILES CC(C)(C1=CC=C(C=C1)Cl)C(=O)OC

Synthesis

  • Route1

    References

    • Huang, David S.; DeLuca, Ryan J.; Hartwig, John. F. Organic Syntheses, 2012 , vol. 88, p. 4 - 13
  • Route2

    References

    • Puthiyapurayil, Pushpan; Poojary, Boja; Chikkanna, Chandrashekhar; Buridipad, Sunil Kumar European Journal of Medicinal Chemistry, 2012 , vol. 57, p. 407 - 416
  • Route3
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      67-56-1
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    • Methyl 2-(4-chlorophenyl)-2-methylpropanoate|CS-0465868
      57225-86-2
    • null|null
      24254-65-7

    References

    • Vieira, Tiago O.; Green, Mike J.; Alper, Howard Organic Letters, 2006 , vol. 8, # 26 p. 6143 - 6145

Safety Information

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7906
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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