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CS-W001157 4
Total: USD 88.00

N-(2-bromophenyl)-3-oxobutanamide

  • CAS No. 52700-65-9

  • Cat. No. CS-0322978
  • Molecule weight256.10
  • Purity≥97%
  • MDL No.None

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

N-(2-bromophenyl)-3-oxobutanamide|CS-0322978

Structure of 52700-65-9

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General Information

  • CAS No. 52700-65-9
  • Cat. No. CS-0322978
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BrNO₂
  • Molecular Weight 256.10
  • Synonym(s) UKRORGSYN-BB BBV-057192
  • SMILES CC(CC(NC1=CC=CC=C1Br)=O)=O

Synthesis

  • Route1
    • In-stock
      tert-Butyl acetoacetate|CS-0006847
      1694-31-1
    • null|null
      615-36-1
    • ~57%
    • In-stock
      N-(2-bromophenyl)-3-oxobutanamide|CS-0322978
      52700-65-9

    References

    • Wlodarczyk, Nicolas; Simenel, Catherine; Delepierre, Muriel; Barale, Jean-Christophe; Janin, Yves L. Synthesis, 2011 , # 6 art. no. T51110SS, p. 934 - 942
  • Route2
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • null|null
      615-36-1
    • ~19%
    • In-stock
      N-(2-bromophenyl)-3-oxobutanamide|CS-0322978
      52700-65-9

    References

    • ARRAY BIOPHARMA INC. Patent: WO2008/121687 A2, 2008 ; Location in patent: Page/Page column 46 ; WO 2008/121687 A2

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   2.3667
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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