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tert-Butyl (1-hydroxy-4-(methylthio)butan-2-yl)carbamate

  • CAS No. 92148-47-5

  • Cat. No. CS-0612371
  • Molecule weight235.34
  • Purity≥98%
  • MDL No.None

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

tert-Butyl (1-hydroxy-4-(methylthio)butan-2-yl)carbamate|CS-0612371

Structure of 92148-47-5

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General Information

  • CAS No. 92148-47-5
  • Cat. No. CS-0612371
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₂₁NO₃S
  • Molecular Weight 235.34
  • Synonym(s) Tert-butyl [1-hydroxy-4-(methylsulfanyl)butan-2-yl]carbamate
  • SMILES O=C(OC(C)(C)C)NC(CO)CCSC

Synthesis

  • Route1
    • (S)-Methyl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate|CS-0754280
      33900-24-2
    • ~%
    • tert-Butyl (1-hydroxy-4-(methylthio)butan-2-yl)carbamate|CS-0612371
      92148-47-5

    References

    • MERCK SHARP and DOHME CORP.; ALTMAN, Michael, D.; BIENSTOCK, Corey, E.; BUTCHER, John, W.; CHILDERS, Kaleen Konrad; DI FRANCESCO, Maria Emilia; DONOFRIO, Anthony; ELLIS, John Michael; FISCHER, Christian; HAIDLE, Andrew, M.; JEWELL, James, P.; KNOWLES, Sandra Lee; NORTHRUP, Alan, B.; OTTE, Ryan, D.; PETERSON, Scott, L.; SMITH, Graham Frank Patent: WO2013/52394 A1, 2013 ; Location in patent: Paragraph 00313 ;
  • Route2
    • Methioninol|CS-0091223
      502-83-0
    • null|null
      24608-52-4
    • ~%
    • tert-Butyl (1-hydroxy-4-(methylthio)butan-2-yl)carbamate|CS-0612371
      92148-47-5

    References

    • Sandrin,E.; Boissonas,R.A. Helvetica Chimica Acta, 1966 , vol. 49, p. 76 - 82
  • Route3

    References

    • MERCK SHARP and DOHME CORP.; ALTMAN, Michael, D.; BIENSTOCK, Corey, E.; BUTCHER, John, W.; CHILDERS, Kaleen Konrad; DI FRANCESCO, Maria Emilia; DONOFRIO, Anthony; ELLIS, John Michael; FISCHER, Christian; HAIDLE, Andrew, M.; JEWELL, James, P.; KNOWLES, Sandra Lee; NORTHRUP, Alan, B.; OTTE, Ryan, D.; PETERSON, Scott, L.; SMITH, Graham Frank Patent: WO2013/52394 A1, 2013 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   58.56
  • LogP   1.6251
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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