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Methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

  • CAS No. 1025718-78-8

  • Cat. No. CS-0175569
  • Purity≥98%
  • MDL No.None

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

Methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0175569

Structure of 1025718-78-8

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General Information

  • CAS No. 1025718-78-8
  • Cat. No. CS-0175569
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BBrO₄
  • Molecular Weight 341.01
  • Synonym(s) Benzoic acid, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • SMILES CC1(C(C)(OB(O1)C2=CC(Br)=CC(C(OC)=O)=C2)C)C

Synthesis

  • Route1

    References

    • Roche Palo Alto LLC Patent: US2009/170873 A1, 2009 ; Location in patent: Page/Page column 47-48 ;
  • Route2

    References

    • LOCUS PHARMACEUTICALS, INC. Patent: WO2008/8059 A1, 2008 ; Location in patent: Page/Page column 183-184 ;

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   2.5349
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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