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CS-W001157 4
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1,3-Dibromo-5-(tert-butyl)-2-methoxybenzene

  • CAS No. 132268-08-7

  • Cat. No. CS-0140471
  • Molecule weight322.04
  • Purity≥98%
  • MDL No.MFCD00233136

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

1,3-Dibromo-5-(tert-butyl)-2-methoxybenzene|CS-0140471

Structure of 132268-08-7

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General Information

  • CAS No. 132268-08-7
  • Cat. No. CS-0140471
  • Purity ≥98%
  • MDL No. MFCD00233136
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄Br₂O
  • Molecular Weight 322.04
  • Synonym(s) 1,3-Dibromo-5-tert-butyl-2-methoxybenzene
  • SMILES COC1=C(Br)C=C(C(C)(C)C)C=C1Br

Description

1,3-Dibromo-5-(tert-butyl)-2-methoxybenzene features a sterically shielded tert-butyl group and a methoxy substituent that enhance solubility and stability. This electron-rich aromatic core enables reliable coupling in cross-coupling reactions under standard conditions. The dibromo functionality offers dual handles for sequential functionalization.

Application

1,3-Dibromo-5-(tert-butyl)-2-methoxybenzene serves as a versatile building block in the synthesis of functionalized aromatic scaffolds. Its ortho-brominated framework enables palladium-catalyzed cross-coupling reactions, while the tert-butyl and methoxy groups provide steric and electronic modulation. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and materials science applications.

Safety Information

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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+P364

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   4.5177
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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