4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
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4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
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CAS No:
33097-11-9
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Formula:
C6H4Cl2N2OS
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Chemical Name:
4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
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Synonyms:
ASISCHEM C51986;4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE;4,6-DICHLORO-2-(METHYLTHIO)-5-FORMYLPYRIMIDINE;4,6-Dichloro-2-Methylsulfamylpyrimidine-5-Carboxaldehyde;2-Aminomethylimidazoledihydrochloride;4,6-Dichloro-2-(methylthio)pyrimidine-5-carbaldehyde;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarbaldehyde;4,6-Dichloro-2-(methylthio)-5-pyrimidinecarboxaldehyde
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CAS No:
4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE Basic Attributes
223.08
221.942139
DTXSID10404898
2933599090
Characteristics
68.2
2.4
Pale Yellow Solid
1.6±0.1 g/cm3
82-84°C
327.7°C at 760 mmHg
152.0±26.5 °C
1.617
-20°C Freezer
4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE Use and Manufacturing
3-[2-r4-Amino-l-piperidinylV8-r2.6-difluorophenyl)-7-oxo-5, 6.7, 8- tetrahvdropyrimido[4, 5-To the solution of phosphorus oxy chloride (65 mL, 0.70 mol) in trichloroethylene (46.5 mL) was added DMF (25 mL, 0.32 mol) slowly to keep the temperature between 5 To the solution of phosphorus oxychloride (65 mL, 0.70 mol) in trichloroethylene(46.5 mL) was added DMF (25 mL, 0.32 mol) slowly to keep the temperature between 5 To the solution of phosphorus oxychloride (65 mL, 0.70 mol) in trichloroethylene(46.5 mL) was added DMF (25 mL, 0.32 mol) slowly to keep the temperature between 5 POCIReference Example 69 Production of 4, 6-dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde To ice-cooled phosphorus oxychloride (77.62 g, 506 mmol) was added dropwise DMF (9.29 mL, 120 mmol), and the mixture was stirred at room temperature for 1 hr. 2-(Methylsulfanyl)pyrimidine-4, 6-diol (15.8 g, 100 mmol) was added thereto by small portions, and the mixture was stirred at room temperature for 1 hr, at 40-50°C for 1 hr, and then at 100°C overnight. After cooling, the reaction mixture was poured into ice, and the mixture was extracted twice with ethyl acetate. The extract was washed successively with water and brine, dried over magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluate, hexane:ethyl acetate=95:5-->85:15) to give the title compound (2.97 g, 13percent) as a pale-yellow solid. 57a) 4-chloro-6-[(2, 6-difluorophenyDamino]-2-(methylthioN-CcvclopropylmethylV3-r8-r2, 6-difluoroρhenylV2-(r2-hvdroxy-l- rhvdroxymethvπethyl
Computed Properties
Molecular Weight:223.08
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:221.9421393
Monoisotopic Mass:221.9421393
Topological Polar Surface Area:68.2
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,6-DICHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
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