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CS-W001157 4
Total: USD 88.00

Methyl 4-butyramido-3-methyl-5-nitrobenzoate

  • CAS No. 152628-01-8

  • Cat. No. CS-0463966
  • Purity≥96%
  • MDL No.None

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

Methyl 4-butyramido-3-methyl-5-nitrobenzoate|CS-0463966

Structure of 152628-01-8

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General Information

  • CAS No. 152628-01-8
  • Cat. No. CS-0463966
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆N₂O₅
  • Molecular Weight 280.28
  • Synonym(s) Methyl-4-butyramido-3-methyl-5-nitro benzoate
  • SMILES CCCC(NC1=C([N+]([O-])=O)C=C(C(OC)=O)C=C1C)=O

Synthesis

  • Route1

    References

    • Boehringer Ingelheim Pharma GmbH and Co.KG Patent: EP1173407 B1, 2005 ; Location in patent: Page/Page column 5 ;
  • Route2

    References

    • Journal of Heterocyclic Chemistry, , vol. 40, # 6 p. 1107 - 1112
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 40, # 6 p. 1107 - 1112

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-P405-P501

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Computational Chemistry Data

  • TPSA   98.54
  • LogP   2.42842
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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