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CS-W001157 4
Total: USD 88.00

tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate

  • CAS No. 630121-86-7

  • Cat. No. CS-W006777
  • Molecule weight317.28
  • Purity≥97%
  • MDL No.MFCD23135802

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

tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate|CS-W006777

Structure of 630121-86-7

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General Information

  • CAS No. 630121-86-7
  • Cat. No. CS-W006777
  • Purity ≥97%
  • MDL No. MFCD23135802
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄F₃NO₅S
  • Molecular Weight 317.28
  • Synonym(s) TERT-BUTYL 3-(((TRIFLUOROMETHYL)SULFONYL)OXY)-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE (CAS
  • SMILES CC(C)(C)OC(=O)N1CC=C(C1)OS(=O)(=O)C(F)(F)F

Synthesis

  • Route1
    • In-stock
      2-[N,N-Bis(trifluoromethylsulfonyl)amino]-5-chloropyridine|CS-W009001
      145100-51-2
    • null|null
      101385-93-7
    • ~33%
    • In-stock
      tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate|CS-W006777
      630121-86-7

    References

    • Purandare, Ashok Vinayak; Wan, Honghe; Huynh, Tram N. Patent: US2006/235037 A1, 2006 ; Location in patent: Page/Page column 60 ; US 20060235037 A1
  • Route2
    • In-stock
      N,N-Bis(trifluoromethylsulfonyl)aniline|CS-B0879
      37595-74-7
    • null|null
      101385-93-7
    • ~60%
    • In-stock
      tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate|CS-W006777
      630121-86-7

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG; BENTZIEN, Joerg, Martin; BOYER, Stephen, James; BURKE, Jennifer; ELDRUP, Anne, Bettina; GUO, Xin; HUBER, John, David; KIRRANE, Thomas, Martin; SOLEYMANZADEH, Fariba; SWINAMER, Alan, David Patent: WO2010/5783 A1, 2010 ; Location in patent: Page/Page column 151 ; WO 2010/005783 A1
  • Route3

    References

    • SANOFI-AVENTIS Patent: US2009/176775 A1, 2009 ; Location in patent: Page/Page column 33-34 ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.91
  • LogP   1.9872
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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