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CS-W001157 4
Total: USD 88.00

1-Bromo-4-tert-butylbenzene

  • CAS No. 3972-65-4

  • Cat. No. CS-W008710
  • Purity≥97%
  • MDL No.MFCD00000108

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

1-Bromo-4-tert-butylbenzene|CS-W008710

Structure of 3972-65-4

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General Information

  • CAS No. 3972-65-4
  • Cat. No. CS-W008710
  • Purity ≥97%
  • MDL No. MFCD00000108
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃Br
  • Molecular Weight 213.11
  • Synonym(s) None
  • SMILES CC(C1=CC=C(Br)C=C1)(C)C

Description

1-Bromo-4-tert-butylbenzene undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0C in various solvents.1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7).

Synthesis

  • Route1
    • null|null
      253185-03-4
    • ~97%
    • In-stock
      1-Bromo-4-tert-butylbenzene|CS-W008710
      3972-65-4

    References

    • Balaganesan, Banumathy; Shen, Wen-Jian; Chen, Chin H. Tetrahedron Letters, 2003 , vol. 44, # 30 p. 5747 - 5750
  • Route2
    • null|null
      108-86-1
    • null|null
      3282-30-2
    • ~7%
    • In-stock
      1-Bromo-4-tert-butylbenzene|CS-W008710
      3972-65-4
    • 1-(4-Bromophenyl)-2,2-dimethylpropan-1-one|CS-W021229
      30314-45-5

    References

    • Gopalakrishnan, Geetha; Anandhi; Narasimhan Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996 , vol. 35, # 11 p. 1194 - 1196
  • Route3

    References

    • Du Pont Merck Pharmaceutical Company Patent: US5049570 A1, 1991 ;

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.7466
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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