ChemicalBook--->CAS DataBase List--->6328-58-1

6328-58-1

6328-58-1 Structure

6328-58-1 Structure
IdentificationBack Directory
[Name]

6-Methyl-2-(methylthio)pyrimidin-4-ol
[CAS]

6328-58-1
[Synonyms]

NSC37678
NSC43815
ST074533
ST5114026
NSC193525
ZINC00039515
ZINC03864720
ZINC05182359
Enamine_001117
6-Methyl-2-(methylthio)
6-Methyl-2-(methylthio)pyrimidin-4-ol
6-METHYL-2-METHYLSULFANYL-PYRIMIDIN-4-OL
6-Methyl-2-methylthio-3H-pyrimidin-4-one
4-Hydroxy-6-methyl-2-methylthiopyrimidine
6-methyl-2-(methylthio)pyrimidin-4(3H)-one
6-Methyl-2-(methylthio)-1H-pyrimidin-4-one
6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one
4(1H)-PyriMidinone, 6-Methyl-2-(Methylthio)-
4(3H)-Pyrimidinone, 6-methyl-2-(methylthio)-
6-Methyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
6-Methyl-2-(methylthio)pyrimidin-4-ol ISO 9001:2015 REACH
[Molecular Formula]

C6H8N2OS
[MDL Number]

MFCD01022058
[MOL File]

6328-58-1.mol
[Molecular Weight]

156.21
Chemical PropertiesBack Directory
[Melting point ]

224-226°C
[Boiling point ]

259.2±23.0 °C(Predicted)
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

8.24±0.50(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39-24/25
[WGK Germany ]

3
[HS Code ]

29335990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N-Benzylacrylamide-->Methylthiouracil-->2-Methyl-2-thiopseudourea,sulfate-->Dimethyl sulfate-->Iodomethane-->Acetyl ketene-->Methyl carbamimidothioate
[Preparation Products]

2,4-Dichloro-6-methylpyrimidine-->SAR245409-->5-Bromo-2,4-dichloro-6-methylpyrimidine-->2-(Benzylamino)-6-methylpyrimidin-4-ol
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Synthesis]

Methylthiouracil

56-04-2

Iodomethane

74-88-4

6-Methyl-2-(methylthio)pyrimidin-4-ol

6328-58-1

Sodium hydroxide (97%, 15.7 g, 381 mmol) was added to 500 mL of water and the suspension was stirred for 10 min at room temperature. 6-Methyl-2-thioxasulfinyl-1,2,3,4-tetrahydropyrimidin-4-one (98%, 53.5 g, 369 mmol) was added and the mixture was stirred until completely dissolved for 10 minutes. Iodomethane (28.99 mL, 461 mmol) was slowly added dropwise and the reaction mixture continued to be stirred for 4 hours at room temperature. After completion of the reaction, a colorless solid was obtained by filtration, washed with ice-cold water (2 x 100 mL) and dried under vacuum at 60 °C to give 6-methyl-4-hydroxy-2-methylthiopyrimidine (57 g, 98% yield) as a colorless solid. The product was analyzed by LC-MS: m/z = 156.9 [M + H]+; retention time (RT) = 0.61 min.

[References]

[1] Patent: WO2017/59191, 2017, A1. Location in patent: Paragraph 00126-00129
[2] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 18, p. 3025 - 3030
[3] Archiv der Pharmazie, 1984, vol. 317, # 5, p. 425 - 430
Spectrum DetailBack Directory
[Spectrum Detail]

6-Methyl-2-(methylthio)pyrimidin-4-ol(6328-58-1)1HNMR
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