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CS-W001157 4
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p-(Methoxycarbonyl)benzyl bromide

  • CAS No. 2417-72-3

  • Cat. No. CS-W008845
  • Purity≥98%
  • MDL No.MFCD00032453

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

p-(Methoxycarbonyl)benzyl bromide|CS-W008845

Structure of 2417-72-3

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General Information

  • CAS No. 2417-72-3
  • Cat. No. CS-W008845
  • Purity ≥98%
  • MDL No. MFCD00032453
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₂
  • Molecular Weight 229.07
  • Synonym(s) α-Bromo-p-toluic Acid Methyl Ester
  • SMILES O=C(C1=CC=C(C=C1)CBr)OC

Synthesis

  • Route1

    References

    • LEAD THERAPEUTICS, INC. Patent: US2009/197863 A1, 2009 ; Location in patent: Page/Page column 57 ;
  • Route2

    References

    • Moutevelis-Minakakis, Panagiota; Papavassilopoulou, Eleni; Michas, George; Georgikopoulou, Kalliopi; Ragoussi, Maria-Eleni; Neophytou, Niki; Zoumpoulakis, Panagiotis; Mavromoustakos, Thomas; Hadjipavlou-Litina, Dimitra Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 9 p. 2888 - 2902
  • Route3

    References

    • Vassiliou, Stamatia; Xeilari, Metaxia; Yiotakis, Athanasios; Grembecka, Jolanta; Pawelczak, Malgorzata; Kafarski, Pawel; Mucha, Artur Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 9 p. 3187 - 3200

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06,GHS08
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H301-H314-H334
Precautionary Statements : P260-P264-P270-P280-P285-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.3681
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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