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CS-W001157 4
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tert-Butyl 1-thia-6-azaspiro[3.3]heptane-6-carboxylate

  • CAS No. 1223573-53-2

  • Cat. No. CS-0078570
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 1-thia-6-azaspiro[3.3]heptane-6-carboxylate|CS-0078570

Structure of 1223573-53-2

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General Information

  • CAS No. 1223573-53-2
  • Cat. No. CS-0078570
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇NO₂S
  • Molecular Weight 215.31
  • Synonym(s) 1-Oxo-7-aza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester
  • SMILES O=C(OC(C)(C)C)N1CC2(SCC2)C1

Synthesis

  • Route1
    • Tert-butyl 3-(2-hydroxyethyl)-3-mercaptoazetidine-1-carboxylate|CS-0457275
      1223573-24-7
    • ~61%
    • In-stock
      tert-Butyl 1-thia-6-azaspiro[3.3]heptane-6-carboxylate|CS-0078570
      1223573-53-2

    References

    • Burkhard, Johannes A.; Guerot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M. Organic Letters, 2010 , vol. 12, # 9 p. 1944 - 1947
  • Route2

    References

    • SIRTRIS PHARMACEUTICALS, INC.; CASAUBON, Rebecca, L.; NARAYAN, Radha; OALMANN, Christopher; VU, Chi, B. Patent: WO2013/59587 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   29.54
  • LogP   2.1128
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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