ChemicalBook--->CAS DataBase List--->49844-90-8

49844-90-8

49844-90-8 Structure

49844-90-8 Structure
IdentificationMore
[Name]

4-Chloro-2-methylthiopyrimidine
[CAS]

49844-90-8
[Synonyms]

4-CHLORO-2-(METHYLTHIO)PYRIMIDINE
PYRIMIDINE, 4-CHLORO-2-(METHYLTHIO)-
4-Chloro-2-(methylmercapto)pyrimidine
4-CHLORO-2-METHYLSULFANYL-PYRIMIDINE
4-Chloro-2-(methylthio)pyrimidine 97%
2-methylthio-4-chloropyrimine
2-(Methylthio)-4-chloropyrimidine
4-Chloro-2-(methylthio)pyrimidine ,98%
[EINECS(EC#)]

256-500-6
[Molecular Formula]

C5H5ClN2S
[MDL Number]

MFCD00006083
[Molecular Weight]

160.62
[MOL File]

49844-90-8.mol
Chemical PropertiesBack Directory
[Appearance]

Clear yellow to brown liquid
[Melting point ]

−2 °C(lit.)
[Boiling point ]

139-140 °C36 mm Hg(lit.)
[density ]

1.381 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.6(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

liquid
[pka]

-0.56±0.20(Predicted)
[Water Solubility ]

Not miscible or difficult to mix in water.
[Sensitive ]

Hygroscopic
[Detection Methods]

HPLC
[BRN ]

118042
[InChIKey]

DFOHHQRGDOQMKG-UHFFFAOYSA-N
[CAS DataBase Reference]

49844-90-8(CAS DataBase Reference)
[Storage Precautions]

Moisture sensitive
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1760 8/PG 2
[WGK Germany ]

3
[F ]

10-13-23
[Hazard Note ]

Corrosive/Hygroscopic
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29335990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phosphorus oxychloride-->Iodomethane-->2-Thiouracil-->2-Methylthio-4-pyrimidinol
[Preparation Products]

4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde-->2-METHYLTHIO-4-BROMOPYRIMIDINE-->4-Hydrazino-2-(methylsulfanyl)pyrimidine-->2-(methylthio)-4-(1H-pyrazol-4-yl)pyrimidine-->4-Chloro-2-(methylsulfonyl)pyrimidine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chloro-2-methylthiopyrimidine(49844-90-8).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear yellow to brown liquid
[Uses]

4-Chloro-2-methylthiopyrimidine was used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It was used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. It was used as building block in medicinal chemistry synthesis.
[Uses]

It finds it application as a building block used in medicinal chemistry synthesis. 4-Chloro-2-methylthiopyrimidine is used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It is also used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-2-methylthiopyrimidine(49844-90-8)1HNMR
4-Chloro-2-methylthiopyrimidine(49844-90-8)FT-IR
4-Chloro-2-methylthiopyrimidine(49844-90-8)IR
4-Chloro-2-methylthiopyrimidine(49844-90-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chloro-2-methylthiopyrimidine, 97%(49844-90-8)
[Alfa Aesar]

4-Chloro-2-(methylthio)pyrimidine, 98%(49844-90-8)
[Sigma Aldrich]

49844-90-8(sigmaaldrich)
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