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CS-W001157 4
Total: USD 88.00

tert-Butyl 4-bromo-2-methylbenzoate

  • CAS No. 445003-37-2

  • Cat. No. CS-0038319
  • Purity≥98%
  • MDL No.MFCD08703427

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

tert-Butyl 4-bromo-2-methylbenzoate|CS-0038319

Structure of 445003-37-2

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General Information

  • CAS No. 445003-37-2
  • Cat. No. CS-0038319
  • Purity ≥98%
  • MDL No. MFCD08703427
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅BrO₂
  • Molecular Weight None
  • Synonym(s) tert.butyl 4-bromo-2-methyl-benzoate
  • SMILES CC1=CC(=CC=C1C(=O)OC(C)(C)C)Br

Synthesis

  • Route1

    References

    • CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, James, Edmund; COOK, Andrew; GAGNON, Alexandre; HARMANGE, Jean-christophe; NAVESCHUK, Christopher, G. Patent: WO2013/75083 A1, 2013 ; Location in patent: Paragraph 00521; 00522; 00579; 00580 ;
  • Route2

    References

    • SYNGENTA PARTICIPATIONS AG; EL QACEMI, Myriem; CASSAYRE, Jerome Yves; TOUEG, Julie Clementine; RENOLD, Peter; PITTERNA, Thomas Patent: WO2011/101229 A1, 2011 ; Location in patent: Page/Page column 73 ;
  • Route3
    • null|null
      21900-45-8
    • In-stock
      Potassium tert-butoxide|CS-0864415
      865-47-4
    • ~%
    • In-stock
      tert-Butyl 4-bromo-2-methylbenzoate|CS-0038319
      445003-37-2

    References

    • SYNGENTA PARTICIPATIONS AG Patent: WO2009/80250 A2, 2009 ; Location in patent: Page/Page column 52 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.71282
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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