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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-cyanobenzoate

  • CAS No. 55696-50-9

  • Cat. No. CS-0210175
  • Molecule weight203.24
  • Purity≥98%
  • MDL No.MFCD11041298

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

tert-Butyl 4-cyanobenzoate|CS-0210175

Structure of 55696-50-9

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General Information

  • CAS No. 55696-50-9
  • Cat. No. CS-0210175
  • Purity ≥98%
  • MDL No. MFCD11041298
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₂
  • Molecular Weight 203.24
  • Synonym(s) Benzoic acid, 4-cyano-, 1,1-diMethylethyl ester
  • SMILES CC(C)(C)OC(=O)C1=CC=C(C=C1)C#N

Synthesis

  • Route1

    References

    • AQUILUS PHARMACEUTICALS, INC.; SUCHOLEIKI, Irving Patent: WO2014/62204 A1, 2014 ; Location in patent: Page/Page column 54-55 ;
  • Route2
    • null|null
      619-65-8
    • null|null
      115-11-7
    • ~%
    • tert-Butyl 4-cyanobenzoate|CS-0210175
      55696-50-9

    References

    • Takeda Chemical Industries, Ltd. Patent: US5876756 A1, 1999 ;
  • Route3

    References

    • Wu, Yusheng; Li, Xinjian; Zou, Dapeng; Zhu, Helong; Wang, Yaping; Li, Jingya; Wu, Yangjie Organic Letters, 2014 , vol. 16, # 7 p. 1836 - 1839

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   50.09
  • LogP   2.51358
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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