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CS-W001157 4
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tert-Butyl 3-cyanoazetidine-1-carboxylate

  • CAS No. 142253-54-1

  • Cat. No. CS-0001914
  • Purity≥97%
  • MDL No.MFCD06796640

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

tert-Butyl 3-cyanoazetidine-1-carboxylate|CS-0001914

Structure of 142253-54-1

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General Information

  • CAS No. 142253-54-1
  • Cat. No. CS-0001914
  • Purity ≥97%
  • MDL No. MFCD06796640
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄N₂O₂
  • Molecular Weight 182.22
  • Synonym(s) None
  • SMILES N#CC1CN(C(=O)OC(C)(C)C)C1

Description

tert-Butyl 3-cyanoazetidine-1-carboxylate features a strained azetidine core bearing a nitrile group and a tert-butyl ester, enabling direct incorporation into bioactive molecules. The cyano moiety enhances electrophilicity for nucleophilic functionalization, while the bench-stable ester facilitates selective deprotection under mild conditions. This scaffold supports rapid diversification in medicinal chemistry campaigns targeting kinase inhibitors and CNS modulators.

Synthesis

  • Route1

    References

    • Hendricks, Robert Than; Hermann, Johannes; Kondru, Rama; Lou, Yan; Lynch, Stephen M.; Owens, Timothy D.; Soth, Michael Patent: US2011/230462 A1, 2011 ; Location in patent: Page/Page column 64-65 ; US 20110230462 A1
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    References

    • US2003/229226 A1, ; Page 20 ;
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    References

    • WO2010/131145 A1, ; Page/Page column 85-86 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H319-H411
Precautionary Statements : P264-P270-P273-P280-P330-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   1.37688
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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