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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-(2-propynylamino)benzoate

  • CAS No. 112888-76-3

  • Cat. No. CS-M1332
  • Molecule weight231.29
  • Purity≥96%
  • MDL No.MFCD11973652

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

tert-Butyl 4-(2-propynylamino)benzoate|CS-M1332

Structure of 112888-76-3

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General Information

  • CAS No. 112888-76-3
  • Cat. No. CS-M1332
  • Purity ≥96%
  • MDL No. MFCD11973652
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇NO₂
  • Molecular Weight 231.29
  • Synonym(s) 2-Methyl-2-propanyl 4-(2-propyn-1-ylamino)benzoate
  • SMILES C#CCNC1=CC=C(C=C1)C(OC(C)(C)C)=O

Synthesis

  • Route1
    • tert-Butyl 4-(2,2,2-trifluoroacetamido)benzoate|CS-1347028
      1262414-95-8
    • null|null
      106-96-7
    • ~85%
    • In-stock
      tert-Butyl 4-(2-propynylamino)benzoate|CS-M1332
      112888-76-3

    References

    • ONYX PHARMACEUTICALS, INC.; KERSCHEN, James, Alan; BRIDGES, Alexander, James; DALZIEL, Sean, Mark; DAPREMONT, Olivier; KIM, Hyunjung; THOMPSON, Andrew, S.; ZELLER, James, Robert Patent: WO2012/11939 A2, 2012 ; Location in patent: Page/Page column 61-62 ;
  • Route2
    • In-stock
      tert-Butyl 4-aminobenzoate|CS-M1336
      18144-47-3
    • null|null
      106-96-7
    • ~47%
    • In-stock
      tert-Butyl 4-(2-propynylamino)benzoate|CS-M1332
      112888-76-3

    References

    • Bisset, Graham M. F.; Pawelczak, Krzysztof; Jackman, Ann L.; Calvert, A. Hilary; Hughes, Leslie R. Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 859 - 866
  • Route3

    References

    • WO2012/11939 A2, ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   2.687
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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