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CS-W001157 4
Total: USD 88.00

3-(4-Bromophenyl)-3-methyloxetane

  • CAS No. 872882-97-8

  • Cat. No. CS-0051751
  • Purity≥97%
  • MDL No.None

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

3-(4-Bromophenyl)-3-methyloxetane|CS-0051751

Structure of 872882-97-8

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General Information

  • CAS No. 872882-97-8
  • Cat. No. CS-0051751
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO
  • Molecular Weight 227.10
  • Synonym(s) (2E)-3-(4-bromophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
  • SMILES CC1(COC1)C1=CC=C(Br)C=C1

Synthesis

  • Route1
    • 2-(4-Bromophenyl)-2-methylpropane-1,3-diol|CS-0234471
      66810-01-3
    • ~81%
    • 3-(4-Bromophenyl)-3-methyloxetane|CS-0051751
      872882-97-8

    References

    • PFIZER PRODUCTS INC. Patent: WO2006/106416 A1, 2006 ; Location in patent: Page/Page column 37 ; WO 2006/106416 A1
  • Route2
    • null|null
      53578-00-0
    • ~83%
    • 3-(4-Bromophenyl)-3-methyloxetane|CS-0051751
      872882-97-8

    References

    • Pfizer Inc Patent: US2006/25421 A1, 2006 ; Location in patent: Page/Page column 15 ; US 20060025421 A1
  • Route3
    • 2-(4-Bromophenyl)-2-methylpropane-1,3-diol|CS-0234471
      66810-01-3
    • null|null
      603-35-0
    • ~41%
    • 3-(4-Bromophenyl)-3-methyloxetane|CS-0051751
      872882-97-8

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.737
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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