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ChemicalBook--->CAS DataBase List--->1979-98-2

1979-98-2

1979-98-2 Structure

1979-98-2 Structure
IdentificationMore
[Name]

2-Methylthio-4,6-pyrimidinedione
[CAS]

1979-98-2
[Synonyms]

2-METHYLTHIO-4,6-PYRIMIDINEDIOL
2-Methylthio-4,6-pyrimidinedione
4(1H)-PYRIMIDINONE, 6-HYDROXY-2-(METHYLTHIO)-
4,6-DIHYDROXY-2-METHYLMERCAPTOPYRIMIDINE
4,6-DIHYDROXY-2-METHYLTHIOPYRIMIDINE
4,6-DIHYDROXY-2-METHYTHIOPYRIMIDINE
S-METHYLTHIOBARBITURIC ACID
S-MTBA
2-methylthiopyrimidine-4,6-diol
2-(Methylmercapto)-4,6-pyrimidinediol
4,6-dihydroxy-2-methylmercaprimidine
2-Mercapto thobarbituric acid
4,6-dihydroxyl-2-methylthio-pyrimidine
2-Thiomethyl 4,6-Dihydroxy Pyrimidine
DIHYDROXY-2-METHYLMERCAPTOPYRIMIDINE
2-Methylthiobarbituric acid
2-(Methylmercapto)-4,6-Pyrimid
2-methylthio-4,6-dihydroxylpyrimidine
2-Methylthiopyrimidin-4,6-diol
4,6-Dihydroxy-2-(methylmercapto)pyrimidine
[EINECS(EC#)]

217-839-5
[Molecular Formula]

C5H6N2O2S
[MDL Number]

MFCD00006087
[Molecular Weight]

158.18
[MOL File]

1979-98-2.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

>300 °C(lit.)
[density ]

1.55±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Ethyl Acetate, Ethanol, Methanol
[form ]

Powder
[pka]

4.06±0.10(Predicted)
[color ]

White
[Detection Methods]

HPLC,NMR
[CAS DataBase Reference]

1979-98-2(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4,6-Dihydroxypyrimidine-->2-Thiobarbituric acid-->Iodomethane-->Water-->Ethanol-->Sodium hydroxide
[Preparation Products]

4,6-DIMETHOXYPYRIMIDINE-2-SULFONYL CHLORIDE-->4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

2-(Methylthio)-4,6-pyrimidinediol (cas# 1979-98-2) is a compound useful in organic synthesis.
[Synthesis]

2-Thiobarbituric acid

504-17-6

Iodomethane

74-88-4

2-(methylthio)pyrimidine-4,6-diol

1979-98-2

Step a: Synthesis of 2-methylthio-pyrimidine-4,6-diol (19a); Iodomethane (32.64 g, 220 mmol) was slowly added dropwise to a suspension of thiobarbituric acid (29 g, 200 mmol) dissolved in ethanol (300 mL) and 2M aqueous sodium hydroxide (110 mL) at room temperature. The reaction mixture was stirred overnight at room temperature, followed by warming to 60 °C and continued stirring for 2 hours. Upon completion of the reaction, ethanol was removed by distillation under reduced pressure, an appropriate amount of water was added and the mixture was cooled in an ice bath for 2 hours. The precipitated solid 4,6-dihydroxy-2-methylmercaptopyrimidine was collected by filtration, washed with ice water and dried to give the product (30 g, 95% yield).

[References]

[1] Patent: WO2008/95999, 2008, A1. Location in patent: Page/Page column 96
[2] Patent: WO2012/97478, 2012, A1. Location in patent: Page/Page column 58-59
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylthio-4,6-pyrimidinedione(1979-98-2)MS
2-Methylthio-4,6-pyrimidinedione(1979-98-2)1HNMR
2-Methylthio-4,6-pyrimidinedione(1979-98-2)13CNMR
2-Methylthio-4,6-pyrimidinedione(1979-98-2)IR1
2-Methylthio-4,6-pyrimidinedione(1979-98-2)IR2
2-Methylthio-4,6-pyrimidinedione(1979-98-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

6-Hydroxy-2-methylthio-4(3H)-pyrimidinone, 97%(1979-98-2)
[Sigma Aldrich]

1979-98-2(sigmaaldrich)
[TCI AMERICA]

S-Methylthiobarbituric Acid,>98.0%(LC)(T)(1979-98-2)
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