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CS-W001157 4
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3-((4-amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium Vitamin Impurity

  • CAS No. 6309-04-2

  • Cat. No. CS-0166206
  • Purity≥98%
  • MDL No.None

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

3-((4-amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium  Vitamin Impurity|CS-0166206

Structure of 6309-04-2

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General Information

  • CAS No. 6309-04-2
  • Cat. No. CS-0166206
  • Purity ≥98%
  • MDL No. None
  • Storage RT, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀Br₂N₄OS
  • Molecular Weight 440.20
  • Synonym(s) 2-[3-[(4-Amino-2-ethylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; bromide; hydrobromide
  • SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)CC)CCO.Br.[Br-]

Synthesis

  • Route1
    • null|null
      872805-84-0
    • 3-Chloro-4-oxopentyl acetate|CS-0324583
      13051-49-5
    • ~%
    • 3-((4-amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium  Vitamin Impurity|CS-0166206
      6309-04-2

    References

    • Matsukawa et al. Yakugaku Zasshi, 1943 , vol. 63, p. 216,218 Chem.Abstr., 1951 , p. 4724
  • Route2
    • null|null
      55289-66-2
    • null|null
      855395-83-4
    • ~%
    • 3-((4-amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium  Vitamin Impurity|CS-0166206
      6309-04-2

    References

    • Matsukawa et al. Yakugaku Zasshi, 1943 , vol. 63, p. 216,218 Chem.Abstr., 1951 , p. 4724
  • Route3
    • null|null
      27404-85-9
    • ~%
    • 3-((4-amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium  Vitamin Impurity|CS-0166206
      6309-04-2

    References

    • Stein et al. Journal of the American Chemical Society, 1941 , vol. 63, p. 2059,2062

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   75.91
  • LogP   -1.55638
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   5

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