Cas no 3990-65-6 (4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl-)

4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl- structure
3990-65-6 structure
Product Name:4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
CAS No:3990-65-6
MF:C8H8N2O2
MW:164.161321640015
CID:6640964
Update Time:2024-01-29

4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
    • Inchi: 1S/C8H8N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,4H2,1H3
    • InChI Key: PXGIQOJNOVZKOF-UHFFFAOYSA-N
    • SMILES: C1(C)=NC=C(CO)C(C#N)=C1O

Experimental Properties

  • Density: 1.36±0.1 g/cm3(Predicted)
  • Melting Point: 190 °C
  • Boiling Point: 461.0±45.0 °C(Predicted)
  • pka: 2.68±0.20(Predicted)

4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water ;  1 h, rt
1.2 Reagents: Potassium tert-butoxide Solvents: Dimethyl sulfoxide ,  Tetrahydrofuran ;  2 h, reflux
Reference
Oxidative Dearomatization of PLP in Thiamin Pyrimidine Biosynthesis in Candida albicans
Mondal, Anushree ; et al, Journal of the American Chemical Society, 2023, 145(8), 4421-4430

Production Method 2

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Iron
1.2 Reagents: Alkaline phosphatase
2.1 Solvents: Water ;  1 h, rt
2.2 Reagents: Potassium tert-butoxide Solvents: Dimethyl sulfoxide ,  Tetrahydrofuran ;  2 h, reflux
Reference
Oxidative Dearomatization of PLP in Thiamin Pyrimidine Biosynthesis in Candida albicans
Mondal, Anushree ; et al, Journal of the American Chemical Society, 2023, 145(8), 4421-4430

Production Method 3

Reaction Conditions
1.1 Reagents: Hydroxyamine hydrochloride ,  Hydrochloric acid Solvents: Water
2.1 -
3.1 Solvents: Water ;  1 h, rt
3.2 Reagents: Potassium tert-butoxide Solvents: Dimethyl sulfoxide ,  Tetrahydrofuran ;  2 h, reflux
Reference
Oxidative Dearomatization of PLP in Thiamin Pyrimidine Biosynthesis in Candida albicans
Mondal, Anushree ; et al, Journal of the American Chemical Society, 2023, 145(8), 4421-4430

4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl- Raw materials

4-Pyridinecarbonitrile, 3-hydroxy-5-(hydroxymethyl)-2-methyl- Preparation Products

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