| Identification | More | [Name]
2,4-Dichloro-6-methyl-5-nitropyrimidine | [CAS]
13162-26-0 | [Synonyms]
2,4-DICHLORO-5-NITRO-6-METHYLPYRIMIDINE
2,4-DICHLORO-6-METHYL-5-NITROPYRIMIDINE
2,4-Dichloro-6-Methyl-5-Nitro
Pyrimidine, 2,4-dichloro-6-methyl-5-nitro-
2,6-DICHLORO-4-METHYL-5-NITROPYRIMIDINE
2,4-Dichloro-6-methyl-5-nitropyrimidine ,98% | [EINECS(EC#)]
825-790-1 | [Molecular Formula]
C5H3Cl2N3O2 | [MDL Number]
MFCD00023196 | [Molecular Weight]
208 | [MOL File]
13162-26-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow Crystalline Solid | [Melting point ]
52-54°C | [Boiling point ]
135-136 °C(Press: 22 Torr) | [density ]
1.626±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
-5.30±0.39(Predicted) | [color ]
Pale Yellow to Light Beige | [Usage]
A synthetic intermediat | [Detection Methods]
HPLC,NMR | [Stability:]
Moisture Sensitive | [InChI]
InChI=1S/C5H3Cl2N3O2/c1-2-3(10(11)12)4(6)9-5(7)8-2/h1H3 | [InChIKey]
NBCOZXBHPKSFSA-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC(C)=C([N+]([O-])=O)C(Cl)=N1 | [CAS DataBase Reference]
13162-26-0(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Crystalline Solid | [Uses]
A synthetic intermediate | [Synthesis]
General procedure for the synthesis of 2,4-dichloro-5-nitro-6-methylpyrimidine from 2,4-dihydroxy-6-methyl-5-nitropyrimidine: 2,4-dihydroxy-6-methyl-5-nitropyrimidine (1 eq.) was dissolved in 17.54 mL of phosphoryl chloride, and 2.92 mL of N,N-dimethylaniline (1 eq.) was slowly added dropwise at room temperature. Subsequently, 8.04 μL of DMF (0.00445 eq.) was slowly added under reflux conditions and the reaction lasted for 8 hours. Upon completion of the reaction, the trichlorophosphorus oxide was removed by distillation under reduced pressure. Ice water was added to the residue and extracted with ethyl acetate. The organic layers were combined, washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by rotary evaporation to give a light yellow to brown oil. The oily substance was purified by column chromatographic separation to give a final yellow solid 2,4-dichloro-5-nitro-6-methylpyrimidine (1 g) in 65% yield. | [References]
[1] Patent: CN105906621, 2016, A. Location in patent: Paragraph 0031
[2] Bulletin de la Societe Chimique de France, 1951, p. 428
[3] Helvetica Chimica Acta, 1951, vol. 34, p. 835,837
[4] Journal of the Chemical Society, 1951, p. 1004,1015
[5] Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, vol. 24, p. 84 |
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