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CS-W001157 4
Total: USD 88.00

tert-Butyl 2-(4-nitrophenyl)acetate

  • CAS No. 29704-38-9

  • Cat. No. CS-0611552
  • Purity≥95%
  • MDL No.MFCD24943244

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

tert-Butyl 2-(4-nitrophenyl)acetate|CS-0611552

Structure of 29704-38-9

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General Information

  • CAS No. 29704-38-9
  • Cat. No. CS-0611552
  • Purity ≥95%
  • MDL No. MFCD24943244
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₄
  • Molecular Weight 237.25
  • Synonym(s) Benzeneacetic acid,4-nitro-, 1,1-dimethylethyl ester
  • SMILES O=C(OC(C)(C)C)CC1=CC=C([N+]([O-])=O)C=C1

Synthesis

  • Route1
    • null|null
      51656-70-3
    • null|null
      586-78-7
    • ~98%
    • In-stock
      tert-Butyl 2-(4-nitrophenyl)acetate|CS-0611552
      29704-38-9

    References

    • Hama, Takuo; Liu, Xiaoxiang; Culkin, Darcy A.; Hartwig, John F. Journal of the American Chemical Society, 2003 , vol. 125, # 37 p. 11176 - 11177
  • Route2
    • null|null
      5292-43-3
    • null|null
      586-78-7
    • ~65%
    • In-stock
      tert-Butyl 2-(4-nitrophenyl)acetate|CS-0611552
      29704-38-9

    References

    • Bentz, Emilie; Moloney, Mark G.; Westaway, Susan M. Tetrahedron Letters, 2004 , vol. 45, # 40 p. 7395 - 7397
  • Route3
    • null|null
      5292-43-3
    • null|null
      100-00-5
    • ~83%
    • In-stock
      tert-Butyl 2-(4-nitrophenyl)acetate|CS-0611552
      29704-38-9

    References

    • Hama, Takuo; Hartwig, John F. Organic Letters, 2008 , vol. 10, # 8 p. 1549 - 1552

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.479
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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