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CS-W001157 4
Total: USD 88.00

1-Bromo-3,5-dimethoxybenzene

  • CAS No. 20469-65-2

  • Cat. No. CS-W007352
  • Purity≥98%
  • MDL No.MFCD06200685

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

1-Bromo-3,5-dimethoxybenzene|CS-W007352

Structure of 20469-65-2

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General Information

  • CAS No. 20469-65-2
  • Cat. No. CS-W007352
  • Purity ≥98%
  • MDL No. MFCD06200685
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉BrO₂
  • Molecular Weight 217.06
  • Synonym(s) 3,5-Dimethoxybromobenzene
  • SMILES COC1=CC(OC)=CC(Br)=C1

Description

1-Bromo-3,5-dimethoxybenzene can be synthesized by using 1,3-dimethoxybenzene via iridium-catalyzed arene borylation.1-Bromo-3,5-dimethoxybenzene may be used to synthesize the following:bis-[di-(3,5-dimethoxyphenyl)methylcyclopentadienyl]titanium(IV)dichloride,{5 - C5H4-CH-[C6H4-(OCH3)2]2)2TiCl2 which can be used as an anti-cancer drug and is obtained via a multistep reaction process5-bromo-benzene-1,3-diol via demethylation with boron tribromide(BBr3)1-bromo-3,5-dimethoxy-2-nitrobenzene via nitration reaction

Synthesis

  • Route1

    References

    • Lu, Dai; Meng, Zhaoxing; Thakur, Ganesh A.; Fan, Pusheng; Steed, John; Tartal, Cindy L.; Hurst, Dow P.; Reggio, Patricia H.; Deschamps, Jeffrey R.; Parrish, Damon A.; George, Clifford; Jaerbe, Torbjoern U. C.; Lamb, Richard J.; Makriyannis, Alexandras Journal of Medicinal Chemistry, 2005 , vol. 48, # 14 p. 4576 - 4585
  • Route2

    References

    • Murphy, Jaclyn M.; Liao, Xuebin; Hartwig, John F. Journal of the American Chemical Society, 2007 , vol. 129, # 50 p. 15434 - 15435
  • Route3

    References

    • Karade; Tiwari; Huple; Siddiqui Journal of Chemical Research, 2006 , # 6 p. 366 - 368

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

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   2.4663
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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