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CS-W001157 4
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2-(Hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one

  • CAS No. 118679-90-6

  • Cat. No. CS-0456902
  • Purity≥98%
  • MDL No.None

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

2-(Hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one|CS-0456902

Structure of 118679-90-6

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General Information

  • CAS No. 118679-90-6
  • Cat. No. CS-0456902
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₄
  • Molecular Weight 261.27
  • Synonym(s) 2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-1H-pyridin-4-one
  • SMILES O=C1C=C(CO)NC=C1OCC2=CC=C(OC)C=C2

Synthesis

  • Route1
    • 2-(Hydroxymethyl)-5-((4-methoxybenzyl)oxy)-4H-pyran-4-one|CS-0456905
      118708-61-5
    • ~81%
    • 2-(Hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one|CS-0456902
      118679-90-6

    References

    • KOWA COMPANY, LTD. Patent: US2010/280013 A1, 2010 ; Location in patent: Page/Page column 52 ;
  • Route2

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED; MCGUIRE, Helen; BIST, Shanta; BIFULCO, Neil; ZHAO, Liang; WU, Ye; HUYNH, Hoan; XIONG, Hui; COMITA-PREVOIR, Janelle; DUSSAULT, Daemian; GENG, Bolin; CHEN, Brendan; DURAND-REVILLE, Thomas; GULER, Satenig Patent: WO2013/150296 A1, 2013 ;
  • Route3
    • null|null
      824-94-2
    • ~%
    • 2-(Hydroxymethyl)-5-((4-methoxybenzyl)oxy)pyridin-4(1H)-one|CS-0456902
      118679-90-6

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED; MCGUIRE, Helen; BIST, Shanta; BIFULCO, Neil; ZHAO, Liang; WU, Ye; HUYNH, Hoan; XIONG, Hui; COMITA-PREVOIR, Janelle; DUSSAULT, Daemian; GENG, Bolin; CHEN, Brendan; DURAND-REVILLE, Thomas; GULER, Satenig Patent: WO2013/150296 A1, 2013 ;

Safety Information

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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   71.55
  • LogP   1.4548
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   5

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