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3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one

  • CAS No. 13196-35-5

  • Cat. No. CS-0122596
  • Purity≥98%
  • MDL No.MFCD00463161

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

3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one|CS-0122596

Structure of 13196-35-5

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General Information

  • CAS No. 13196-35-5
  • Cat. No. CS-0122596
  • Purity ≥98%
  • MDL No. MFCD00463161
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NOS
  • Molecular Weight 183.27
  • Synonym(s) 3-(DIMETHYLAMINO)-1-(2-THIENYL)-1-PROPANONE
  • SMILES O=C(C1=CC=CS1)CCN(C)C

Synthesis

  • Route1
    • 3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride Duloxetine Impurity|CS-0228934
      5424-47-5
    • ~%
    • 3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one|CS-0122596
      13196-35-5

    References

    • EP1857451 A1, ; Page/Page column 4 ;
  • Route2

    References

    • Lewis, David; Zhang, Ying; Prisinzano, Thomas; Dersch, Christina M.; Rothman, Richard B.; Jacobson, Arthur E.; Rice, Kenner C. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 7 p. 1385 - 1389
  • Route3

    References

    • EP2305669 A1, ;

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   1.8825
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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