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7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one

  • CAS No. 166978-46-7

  • Cat. No. CS-0093967
  • Molecule weight253.14
  • Purity≥96%
  • MDL No.MFCD07357378

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

7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one|CS-0093967

Structure of 166978-46-7

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General Information

  • CAS No. 166978-46-7
  • Cat. No. CS-0093967
  • Purity ≥96%
  • MDL No. MFCD07357378
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃BrO
  • Molecular Weight 253.14
  • Synonym(s) 1,2,3,4-tetrahydro-4,4-diMethyl-1-oxo-7-broMo-naphthalene
  • SMILES O=C1CCC(C)(C)C2=C1C=C(Br)C=C2

Description

7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one features a brominated dihydronaphthalene core with a sterically hindered dimethyl substitution, enhancing stability and directing electrophilic functionalization. This electron-deficient scaffold integrates readily into complex molecular architectures under standard conditions.

Synthesis

  • Route1

    References

    • Johnson; Klein; Gillett; Wang; Song; Pino; Chandraratna Journal of Medicinal Chemistry, 1995 , vol. 38, # 24 p. 4764 - 4767 Title/Abstract Full Text View citing articles Show Details Johnson, Alan T.; Wang, Liming; Gillett, Samuel J.; Chandraratna, Roshantha A. S. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 4 p. 573 - 576
  • Route2
    • 6-Bromo-1,1-dimethyl-1,2,3,4-tetrahydronaphthalene|CS-0645463
      176088-47-4
    • ~%
    • In-stock
      7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one|CS-0093967
      166978-46-7

    References

    • US6025388 A1, ;
  • Route3
    • In-stock
      7-Amino-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one|CS-0333912
      166977-93-1
    • Cuprous bromide, 99.99% metals basis|CS-0676520
      7787-70-4
    • ~0%
    • In-stock
      7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one|CS-0093967
      166978-46-7

    References

    • Bristol-Myers Squibb Co. Patent: US5648385 A1, 1997 ;

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.7032
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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