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CS-W001157 4
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1-Phenylhexan-3-one

  • CAS No. 29898-25-7

  • Cat. No. CS-0152462
  • Molecule weight176.25
  • Purity≥98%
  • MDL No.MFCD00027144

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

1-Phenylhexan-3-one|CS-0152462

Structure of 29898-25-7

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General Information

  • CAS No. 29898-25-7
  • Cat. No. CS-0152462
  • Purity ≥98%
  • MDL No. MFCD00027144
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O
  • Molecular Weight 176.25
  • Synonym(s) B-PHENYLETHYL PROPYL KETONE
  • SMILES CCCC(=O)CCC1=CC=CC=C1

Description

1-Phenylhexan-3-one features a ketone group flanked by a phenyl ring and a linear alkyl chain, offering enhanced stability and solubility in organic solvents. This structural motif enables direct incorporation into complex synthetic pathways, particularly in the construction of chiral intermediates for pharmaceuticals and natural product analogs.

Application

1-Phenylhexan-3-one serves as a versatile β-keto carbonyl building block in synthetic organic chemistry, enabling efficient construction of substituted cyclohexanones and heterocyclic scaffolds via aldol condensation and cyclization reactions. Its bench-stable nature, moderate solubility in common organic solvents, and tolerance to standard functional groups facilitate straightforward purification and integration into multi-step syntheses.

Synthesis

  • Route1
    • null|null
      104-53-0
    • null|null
      928-49-4
    • ~90%
    • In-stock
      1-Phenylhexan-3-one|CS-0152462
      29898-25-7

    References

    • Lee, Dae-Yon; Hong, Boo-Sun; Cho, Eung-Goo; Lee, Hyuk; Jun, Chul-Ho Journal of the American Chemical Society, 2003 , vol. 125, # 21 p. 6372 - 6373
  • Route2
    • null|null
      82297-62-9
    • ~99%
    • In-stock
      1-Phenylhexan-3-one|CS-0152462
      29898-25-7

    References

    • Sumika Fine Chemicals Co., Ltd. Patent: US2003/176507 A1, 2003 ;
  • Route3
    • null|null
      928-49-4
    • null|null
      256379-28-9
    • ~91%
    • In-stock
      1-Phenylhexan-3-one|CS-0152462
      29898-25-7

    References

    • Jun; Lee; Choong Woon Moon; Hong Journal of the American Chemical Society, 2001 , vol. 123, # 35 p. 8600 - 8601

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
Precautionary Statements : P261-P302+P352

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.9884
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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