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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-nitrobenzoate

  • CAS No. 19756-72-0

  • Cat. No. CS-0060895
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 4-nitrobenzoate|CS-0060895

Structure of 19756-72-0

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General Information

  • CAS No. 19756-72-0
  • Cat. No. CS-0060895
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₄
  • Molecular Weight 223.23
  • Synonym(s) Benzoic acid, 4-nitro-,1,1-dimethylethyl ester
  • SMILES CC(C)(C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      75-65-0
    • In-stock
      4-Nitrobenzoic acid|CS-W020075
      62-23-7
    • ~99%
    • In-stock
      tert-Butyl 4-nitrobenzoate|CS-0060895
      19756-72-0

    References

    • Suich, Daniel J.; Mousa, Shaker A.; Singh, Gurke; Liapakis, George; Reisine, Terry; Degrado, William F. Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 9 p. 2229 - 2241
  • Route2
    • null|null
      122-04-3
    • null|null
      75-65-0
    • ~30%
    • In-stock
      tert-Butyl 4-nitrobenzoate|CS-0060895
      19756-72-0

    References

    • THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES Patent: EP1367046 A1, 2003 ; Location in patent: Page 24 ; EP 1367046 A1
  • Route3
    • null|null
      201230-82-2
    • null|null
      586-78-7
    • null|null
      75-65-0
    • ~43%
    • In-stock
      tert-Butyl 4-nitrobenzoate|CS-0060895
      19756-72-0

    References

    • McNulty, James; Nair, Jerald J.; Sliwinski, Marcin; Robertson, Al J. Tetrahedron Letters, 2009 , vol. 50, # 20 p. 2342 - 2346

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   69.44
  • LogP   2.5501
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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