ChemicalBook--->CAS DataBase List--->17758-52-0

17758-52-0

17758-52-0 Structure

17758-52-0 Structure
IdentificationBack Directory
[Name]

5-METHYLPYRIMIDIN-4-OL
[CAS]

17758-52-0
[Synonyms]

5-methyl-4-pyrimidino
5-METHYLPYRIMIDIN-4-OL
5-Methyl-4-pyrimidinol
5-methyl-1H-pyrimidin-6-one
5-Methyl-3H-pyrimidin-4-one
5-methylpyrimidin-4(3H)-one
4(3H)-Pyrimidinone,5-methyl-
5-Methyl-4-hydroxypyrimidine
4-Hydroxy-5-methylpyrimidine
5-Methylpyrimidin-4-Ol(WX649072)
4(1H)-Pyrimidinone, 5-methyl- (9CI)
5-METHYLPYRIMIDIN-4-OL ISO 9001:2015 REACH
[Molecular Formula]

C5H6N2O
[MDL Number]

MFCD01646066
[MOL File]

17758-52-0.mol
[Molecular Weight]

110.11
Chemical PropertiesBack Directory
[Melting point ]

153-154 °C
[density ]

1.22±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

9.18±0.40(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C5H6N2O/c1-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
[InChIKey]

SHLJOANTPJWIHS-UHFFFAOYSA-N
[SMILES]

C1=NC=C(C)C(=O)N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 49, p. 296, 1984 DOI: 10.1021/jo00176a015
[Synthesis]

4-Hydroxy-5-methyl-2-mercaptopyrimidine

636-26-0

5-METHYLPYRIMIDIN-4-OL

17758-52-0

General procedure for the synthesis of 5-methylpyrimidin-4-ol from 4-hydroxy-2-mercapto-5-methylpyrimidine: 4-hydroxy-2-mercapto-5-methylpyrimidine (1.0 g, 7.0 mmol) was suspended in water (50 mL) and ammonia (3 mL) followed by addition of nickel ruanne suspension in water (20 mL). The reaction mixture was heated to reflux for 16 h. Upon completion of the reaction, the filtrate was thermally filtered through diatomaceous earth (10 g) and the filtrate was washed with water (3 x 25 mL). The filtrate was evaporated and concentrated and the resulting solid was azeotropically dried with toluene (2 x 50 mL) to give the final white solid product 5-methylpyrimidin-4-ol (0.75 g, 97% yield).

[References]

[1] Patent: WO2010/41054, 2010, A1. Location in patent: Page/Page column 40-41
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHYLPYRIMIDIN-4-OL(17758-52-0)1HNMR
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