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CS-W001157 4
Total: USD 88.00

Ethyl 5-(tert-butylthio)-2,2-dimethyl-4-oxopentanoate

  • CAS No. 136558-13-9

  • Cat. No. CS-M1692
  • Molecule weight260.39
  • Purity≥95%
  • MDL No.MFCD04116143

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

Ethyl 5-(tert-butylthio)-2,2-dimethyl-4-oxopentanoate|CS-M1692

Structure of 136558-13-9

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General Information

  • CAS No. 136558-13-9
  • Cat. No. CS-M1692
  • Purity ≥95%
  • MDL No. MFCD04116143
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₄O₃S
  • Molecular Weight 260.39
  • Synonym(s) Pentanoic acid, 5-[(1,1-diMethylethyl)thio]-2,2-diMethyl-4-oxo-, ethyl ester
  • SMILES O=C(OCC)C(C)(C)CC(CSC(C)(C)C)=O

Synthesis

  • Route1
    • Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate|CS-0006849
      154325-75-4
    • null|null
      75-66-1
    • ~%
    • In-stock
      Ethyl 5-(tert-butylthio)-2,2-dimethyl-4-oxopentanoate|CS-M1692
      136558-13-9

    References

    • Synthetic Communications, , vol. 39, # 7 p. 1175 - 1185

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   3.0666
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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