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CS-W001157 4
Total: USD 88.00

2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate

  • CAS No. 873055-55-1

  • Cat. No. CS-M2265
  • Molecule weight309.36
  • Purity≥98%
  • MDL No.MFCD11113067

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

2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate|CS-M2265

Structure of 873055-55-1

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General Information

  • CAS No. 873055-55-1
  • Cat. No. CS-M2265
  • Purity ≥98%
  • MDL No. MFCD11113067
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₃NO₅
  • Molecular Weight 309.36
  • Synonym(s) Carbonicacid, 2,4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl ester
  • SMILES CC(C)(C)C1=C([N+]([O-])=O)C=C(OC(OC)=O)C(C(C)(C)C)=C1

Synthesis

  • Route1
    • In-stock
      2,4-Bis(1,1-dimethylethyl)phenyl methyl ester|CS-M2629
      873055-54-0
    • ~%
    • In-stock
      2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate|CS-M2265
      873055-55-1
    • Ivacaftor Impurity 28|CS-1658509
      873055-56-2

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: US2008/90864 A1, 2008 ; Location in patent: Page/Page column 7; 8 ;
  • Route2

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; DEMATTEI, John; LOOKER, Adam, R.; NEUBERT-LANGILLE, Bobbianna; TRUDEAU, Martin; ROEPER, Stefanie; RYAN, Michael, P.; YAP, Dahrika, Milfred Lao; KRUEGER, Brian, R.; GROOTENHUIS, Peter, D.J.; VAN GOOR, Frederick, F.; BOTFIELD, Martyn, C.; ZLOKARNIK, Gregor Patent: WO2010/108162 A1, 2010 ; Location in patent: Page/Page column 86-88 ;
  • Route3
    • In-stock
      2,4-Bis(1,1-dimethylethyl)phenyl methyl ester|CS-M2629
      873055-54-0
    • null|null
      96042-30-7
    • ~%
    • In-stock
      2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate|CS-M2265
      873055-55-1

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H372
Precautionary Statements : P260-P264-P270-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   78.67
  • LogP   4.335
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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