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CS-W001157 4
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6-Bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one

  • CAS No. 135631-90-2

  • Cat. No. CS-0046261
  • Molecule weight254.12
  • Purity≥97%
  • MDL No.MFCD00795100

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

6-Bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one|CS-0046261

Structure of 135631-90-2

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General Information

  • CAS No. 135631-90-2
  • Cat. No. CS-0046261
  • Purity ≥97%
  • MDL No. MFCD00795100
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂BrNO
  • Molecular Weight 254.12
  • Synonym(s) 6-Bromo-3,4-dihydro-4,4-dimethylquinolin-2(1H)-one
  • SMILES O=C1NC2=C(C=C(Br)C=C2)C(C)(C)C1

Synthesis

  • Route1
    • N-(4-Bromophenyl)-3-methylbut-2-enamide|CS-1648179
      135631-89-9
    • ~66%
    • In-stock
      6-Bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one|CS-0046261
      135631-90-2

    References

    • Allergan, Inc. Patent: US6683092 B1, 2004 ; Location in patent: Page column 9 ;
  • Route2
    • null|null
      1176219-38-7
    • N-(4-Bromophenyl)-3-methylbut-2-enamide|CS-1648179
      135631-89-9
    • ~35%
    • In-stock
      6-Bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one|CS-0046261
      135631-90-2

    References

    • Wyeth Patent: US2009/197878 A1, 2009 ; Location in patent: Page/Page column 10-11 ; US 20090197878 A1
  • Route3
    • null|null
      3350-78-5
    • ~%
    • In-stock
      6-Bromo-4,4-dimethyl-3,4-dihydroquinolin-2(1H)-one|CS-0046261
      135631-90-2

    References

    • Journal of Medicinal Chemistry, , vol. 40, # 22 p. 3567 - 3583

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   29.1
  • LogP   3.0689
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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