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CS-W001157 4
Total: USD 88.00

Benzyloxybenzene

  • CAS No. 946-80-5

  • Cat. No. CS-0040354
  • Purity≥98%
  • MDL No.MFCD00020660

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

Benzyloxybenzene|CS-0040354

Structure of 946-80-5

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General Information

  • CAS No. 946-80-5
  • Cat. No. CS-0040354
  • Purity ≥98%
  • MDL No. MFCD00020660
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂O
  • Molecular Weight 184.23
  • Synonym(s) NSC 77971; Benzyl phenyl ether, Pract.
  • SMILES C1(COC2=CC=CC=C2)=CC=CC=C1

Description

Benzyl phenyl ether is a reactive organic oxygenate, containing ether as functional group, present in subbituminous and bituminous coals. It reacts with aluminium bromide in chlorobenzene solution to afford a mixture of phenol, o-benzyl phenol and dichlorodiphenylmethane. It is a useful as model compound in catalytic chemistry to represent the a-O4 ether bond in lignin and coal. It contains a weak ether bond of 234kJ/mol and belongs to the most thermo-labile compounds in lignin and low rank coal. Influence of alkali carbonates, common additives in biomass conversion, on the reaction pathways of BPE in superheated water has been reported. Cesium-exchanged heteropolyacid catalyzed decomposition of benzyl phenyl ether to aromatics has been investigated. Photo-Claisen rearrangements of benzyl phenyl ether was investigated in cation-exchanged Y zeolites and polyethylenes of differing crystallinities.

Synthesis

  • Route1
    • In-stock
      Benzyl alcohol|CS-4355
      100-51-6
    • null|null
      108-95-2
    • ~94%
    • In-stock
      Benzyloxybenzene|CS-0040354
      946-80-5

    References

    • Tetrahedron Letters, , vol. 54, # 35 p. 4624 - 4628
  • Route2
    • null|null
      91718-21-7
    • ~0%
    • 6H-Benzo[c]chromene|CS-1241008
      229-95-8
    • In-stock
      Benzyloxybenzene|CS-0040354
      946-80-5

    References

    • Journal of Organic Chemistry, , vol. 70, # 19 p. 7578 - 7584
  • Route3

    References

    • Tetrahedron Letters, , vol. 54, # 34 p. 4518 - 4521

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+P364-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.2656
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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