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CS-W001157 4
Total: USD 88.00

1-Propanone, 3-(dimethylamino)-1-(4-methylphenyl)-, hydrochloride 1:1

  • CAS No. 5250-02-2

  • Cat. No. CS-0033716
  • Molecule weight227.73
  • Purity≥98%
  • MDL No.MFCD00156711

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

1-Propanone, 3-(dimethylamino)-1-(4-methylphenyl)-, hydrochloride 1:1|CS-0033716

Structure of 5250-02-2

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General Information

  • CAS No. 5250-02-2
  • Cat. No. CS-0033716
  • Purity ≥98%
  • MDL No. MFCD00156711
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈ClNO
  • Molecular Weight 227.73
  • Synonym(s) 3-(Dimethylamino)-1-(4-methylphenyl)propan-1-one Hydrochloride
  • SMILES O=C(C1=CC=C(C)C=C1)CCN(C)C.[H]Cl

Synthesis

  • Route1
    • null|null
      50-00-0
    • null|null
      506-59-2
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~85%
    • 1-Propanone, 3-(dimethylamino)-1-(4-methylphenyl)-, hydrochloride 1:1|CS-0033716
      5250-02-2

    References

    • Hon, Wai Lam; Murray, Gordon J.; Firth, James D. Organic Letters, 2005 , vol. 7, # 25 p. 5743 - 5746
  • Route2
    • null|null
      506-59-2
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~79%
    • 1-Propanone, 3-(dimethylamino)-1-(4-methylphenyl)-, hydrochloride 1:1|CS-0033716
      5250-02-2

    References

    • Stauffer Chemical Company Patent: US4250185 A1, 1981 ;
  • Route3
    • null|null
      50-00-0
    • null|null
      124-40-3
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~%
    • 1-Propanone, 3-(dimethylamino)-1-(4-methylphenyl)-, hydrochloride 1:1|CS-0033716
      5250-02-2

    References

    • Heterocyclic Communications, , vol. 11, # 2 p. 135 - 138

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.55122
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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