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CS-W001157 4
Total: USD 88.00

Methyl 5-(tert-butyl)-2-oxocyclohexane-1-carboxylate

  • CAS No. 74851-58-4

  • Cat. No. CS-0524114
  • Molecule weight212.29
  • Purity≥98%
  • MDL No.None

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

Methyl 5-(tert-butyl)-2-oxocyclohexane-1-carboxylate|CS-0524114

Structure of 74851-58-4

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General Information

  • CAS No. 74851-58-4
  • Cat. No. CS-0524114
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₀O₃
  • Molecular Weight 212.29
  • Synonym(s) Cyclohexanecarboxylic acid, 5-(1,1-dimethylethyl)-2-oxo-, methyl ester
  • SMILES O=C(C1C(CCC(C(C)(C)C)C1)=O)OC

Synthesis

  • Route1

    References

    • Lachia, Mathilde; Denes, Fabrice; Beaufils, Florent; Renaud, Philippe Organic Letters, 2005 , vol. 7, # 19 p. 4103 - 4106
  • Route2

    References

    • Kayser, Robert H.; Brault, Margaret; Pollack, Ralph M.; Bantia, Shanta; Sadoff, Scott F. Journal of Organic Chemistry, 1983 , vol. 48, # 24 p. 4497 - 4502
  • Route3

    References

    • Kayser, Robert H.; Brault, Margaret; Pollack, Ralph M.; Bantia, Shanta; Sadoff, Scott F. Journal of Organic Chemistry, 1983 , vol. 48, # 24 p. 4497 - 4502

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.1909
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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