2,4-dichloro-5-MethylsulfanylpyriMidine
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2,4-dichloro-5-MethylsulfanylpyriMidine
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CAS No:
7401-98-1
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Formula:
C5H4Cl2N2S
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Chemical Name:
2,4-dichloro-5-MethylsulfanylpyriMidine
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Synonyms:
2,4-dichloro-5-MethylsulfanylpyriMidine;PyriMidine, 2,4-dichloro-5-(Methylthio)-;2,4-Dichloro-5-(methylthio)pyrimidine;2,4-dichloro-5-mercapto-pyrimidine;1,3-dichloro-4-(methylthio)pyrimidine
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CAS No:
Safety Information
NONH for all modes of transport
P280-P305 + P351 + P338
H302-H318
|Danger|H302 (67.24%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 58 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-dichloro-5-MethylsulfanylpyriMidine Use and Manufacturing
A mixture of 5-(methylthio)pimidine-2, 4(1H, 3H)-dione 2 (prepared as in Kopp F, Organic Letters, 2007, 9, 1639-41) (600 mg, 3.8 mmol) in POC13 (15 ml) was stirred ati00oC for 16 hours. The reaction was then poured slowly into ice-water and the mixture was extracted with DCM (20 ml X2), dried andevaporated. The residue was purified by column chromatography (DCM : THF =100 : 0 100) to give 2, 4-dichloro-5-(methylthio)pyrimidine 3 520 mg (70percent yield) as a yellow oil.5-(Methylthio)pyrimidine-2, 4(1H, 3H)-dione (1.5 g, 9.5 mmol), N, N-dimethylaniline (2.3 g, 19 mmol) was mixed.Add phosphorus oxychloride (15g, 97.8mmol), React at 100 ° C for 4 h, cool down, Pour into ice water (100mL), Precipitating solids, filter, dry, Obtained 1.1 g of solid, Yield: 59.4percent.2, 4-Dichloro-5-(methylthio)pyrimidine[00112] 5-(methylthio)pyrimidine-2, 4-diol (0.5 g, 3.16 mmole), POCl
Computed Properties
Molecular Weight:195.07
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:193.9472247
Monoisotopic Mass:193.9472247
Topological Polar Surface Area:51.1
Heavy Atom Count:10
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,4-dichloro-5-MethylsulfanylpyriMidine
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