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CS-W001157 4
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Ethyl 5-(tert-butoxycarbonylamino)thiazole-4-carboxylate

  • CAS No. 864436-92-0

  • Cat. No. CS-0019146
  • Molecule weight272.32
  • Purity95+%
  • MDL No.MFCD19105552

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

Ethyl 5-(tert-butoxycarbonylamino)thiazole-4-carboxylate|CS-0019146

Structure of 864436-92-0

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General Information

  • CAS No. 864436-92-0
  • Cat. No. CS-0019146
  • Purity 95+%
  • MDL No. MFCD19105552
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆N₂O₄S
  • Molecular Weight 272.32
  • Synonym(s) 5-[[(tert-Butoxy)carbonyl]amino]-4-thiazolecarboxylic acid ethyl ester
  • SMILES O=C(OCC)C1=C(NC(OC(C)(C)C)=O)SC=N1

Synthesis

  • Route1

    References

    • Cui, Yong-Mei; Huang, Qing-Qing; Xu, Jie; Chen, Ling-Ling; Li, Jing-Ya; Ye, Qi-Zhuang; Li, Jia; Nan, Fa-Jun Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 16 p. 3732 - 3736
  • Route2
    • Ethyl α-amino-α-cyanoacetate|CS-0016862
      32683-02-6
    • ~%
    • Ethyl 5-(tert-butoxycarbonylamino)thiazole-4-carboxylate|CS-0019146
      864436-92-0

    References

    • NOVARTIS AG; BURGER, Matthew; DING, Yu; HAN, Wooseok; NISHIGUCHI, Gisele; RICO, Alice; SIMMONS, Robert Lowell; TANNER, Huw; WAN, Lifeng Patent: WO2014/33630 A1, 2014 ;
  • Route3

    References

    • NOVARTIS AG; BURGER, Matthew; DING, Yu; HAN, Wooseok; NISHIGUCHI, Gisele; RICO, Alice; SIMMONS, Robert Lowell; TANNER, Huw; WAN, Lifeng Patent: WO2014/33630 A1, 2014 ;

Safety Information

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Computational Chemistry Data

  • TPSA   77.52
  • LogP   2.6668
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   3

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