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CS-W001157 4
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tert-Butyl 3-nitrobenzoate

  • CAS No. 58656-99-8

  • Cat. No. CS-0205235
  • Purity≥98%
  • MDL No.MFCD02091504

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

tert-Butyl 3-nitrobenzoate|CS-0205235

Structure of 58656-99-8

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General Information

  • CAS No. 58656-99-8
  • Cat. No. CS-0205235
  • Purity ≥98%
  • MDL No. MFCD02091504
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₄
  • Molecular Weight 223.23
  • Synonym(s) 3-NITROBENZOIC ACID T-BUTYL ESTER
  • SMILES O=C(OC(C)(C)C)C1=CC=CC(=C1)N(=O)=O

Synthesis

  • Route1

    References

    • Drewe, William C.; Nanjunda, Rupesh; Gunaratnam, Mekala; Beltran, Monica; Parkinson, Gary N.; Reszka, Anthony P.; Wilson, W. David; Neidle, Stephen Journal of Medicinal Chemistry, 2008 , vol. 51, # 24 p. 7751 - 7767
  • Route2

    References

    • Park, Seung Bum; Standaert, Robert F. Tetrahedron Letters, 1999 , vol. 40, # 36 p. 6557 - 6560
  • Route3
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    • tert-Butyl 3-nitrobenzoate|CS-0205235
      58656-99-8

    References

    • US5795887 A1, ; US 5795887 A

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

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