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14001-63-9

14001-63-9 Structure

14001-63-9 Structure
IdentificationBack Directory
[Name]

4-METHYL-2-(METHYLSULFANYL)PYRIMIDINE
[CAS]

14001-63-9
[Synonyms]

SPECS AR-527/42979548
2-Methylthio-4-MethylpyriMidine
4-Methyl-2-Thiomethyl Pyrimidine
4-METHYL-2-(METHYLTHIO)PYRIMIDINE
4-METHYL-2-(METHYLSULFANYL)PYRIMIDINE
Pyrimidine, 4-methyl-2-(methylthio)-
4-Methyl-2-(Methylthio)pyriMidine 97%
4-Methyl-2-(methylsulphanyl)pyrimidine
4-Methyl-2-(methylthio)pyrimidine ,97%
Pyrimidine, 4-methyl-2-(methylthio)- (6CI, 8CI, 9CI)
[Molecular Formula]

C6H8N2S
[MDL Number]

MFCD00023242
[MOL File]

14001-63-9.mol
[Molecular Weight]

140.21
Chemical PropertiesBack Directory
[Boiling point ]

78-80°/1mm
[density ]

1.007 g/mL at 25 °C
[refractive index ]

n20/D 1.572
[Fp ]

220 °F
[storage temp. ]

Sealed in dry,2-8°C
[form ]

liquid
[pka]

1.35±0.20(Predicted)
[color ]

Dark brown
[InChI]

InChI=1S/C6H8N2S/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3
[InChIKey]

UCERVHYBSTYCQS-UHFFFAOYSA-N
[SMILES]

C1(SC)=NC=CC(C)=N1
Hazard InformationBack Directory
[Chemical Properties]

Colorless to yellow to red liquid
[Uses]

4-Methyl-2-(methylthio)pyrimidine is used as a reagent to prepare pyrazolopyrimidines and pyrazolotriazines, both of which display potent activity against herpes viruses. 4-Methyl-2-(methylthio)pyrimidine is also used as a starting material to synthesize 4-substituted-2-aminopyrimidines (e.g. 2-amino-4-ethylpyridine [A609500]), novel c-Jun N-terminal kinase (JNK) inhibitors.
[Synthesis]

To an aqueous (120 mL) solution of NaOH (7.46 g, 186.4 mmol) under argon atmosphere, 4-methylpyrimidine-2-thiolate (13.78 g, 84.7 mmol) was added, followed by the dropwise addition of into iodomethane (13.23 g, 93.2 mmol). The solution was stirred at ro
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29335990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Iodomethane-->Thiourea-->Acetylacetaldehyde dimethyl acetal
[Preparation Products]

2(1H)-Pyrimidinone, 4-methyl-, hydrazone (9CI)-->2-[2-(Methylsulfanyl)-4-pyrimidinyl]-1-[3-(trifluoromethyl)phenyl]-1-ethanone-->2-[2-(Methylthio)pyrimidin-4-yl]-1-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone-->2-(2-(methylthio)pyrimidin-4-yl)-3-oxopropanenitrile
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYL-2-(METHYLSULFANYL)PYRIMIDINE(14001-63-9)1HNMR
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