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CS-W001157 4
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5-(Bromomethyl)-1,3-difluoro-2-methoxybenzene

  • CAS No. 706786-42-7

  • Cat. No. CS-0199499
  • Purity≥98%
  • MDL No.None

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

5-(Bromomethyl)-1,3-difluoro-2-methoxybenzene|CS-0199499

Structure of 706786-42-7

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General Information

  • CAS No. 706786-42-7
  • Cat. No. CS-0199499
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrF₂O
  • Molecular Weight 237.04
  • Synonym(s) 3,5-Difluoro-4-methoxybenzyl bromide
  • SMILES COC1=C(C=C(C=C1F)CBr)F

Description

5-(Bromomethyl)-1,3-difluoro-2-methoxybenzene features a reactive bromomethyl group flanked by electron-withdrawing difluoro substituents and a methoxy handle, enabling selective functionalization in synthetic routes. The molecule combines enhanced stability with high electrophilicity, facilitating efficient coupling reactions under mild conditions. This aryl bromide serves as a valuable intermediate for constructing complex fluorinated scaffolds in medicinal chemistry and materials science.

Application

5-(Bromomethyl)-1,3-difluoro-2-methoxybenzene serves as a versatile building block for the synthesis of fluorinated aromatic scaffolds. The bromomethyl group enables efficient Suzuki, Stille, and Ullmann coupling reactions, while the ortho-difluoro and methoxy substituents provide enhanced metabolic stability and modulated electronic properties. This compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative medicinal chemistry campaigns and API intermediate development.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.8683
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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