| Identification | Back Directory | [Name]
4,6-Dichloro-2-methyl-5-nitropyrimidine | [CAS]
13162-43-1 | [Synonyms]
Einecs 236-105-5
2-Methyl-4,6-dichloro-5-nitropyrimidine
4,6-Dichloro-2-methyl-5-nitropyrimidine
2-Methyl-5-nitro-4,6-dichloro-pyriMidine
Pyrimidine, 4,6-dichloro-2-methyl-5-nitro-
4,6-Dichloro-2-methyl-5-nitropyrimidine ISO 9001：2015 REACH
4,6-Dichloro-2-methyl-5-nitropyrimidine4,6-Dichloro-2-methyl-5-nitropyrimidinev | [EINECS(EC#)]
236-105-5 | [Molecular Formula]
C5H3Cl2N3O2 | [MDL Number]
MFCD00060527 | [MOL File]
13162-43-1.mol | [Molecular Weight]
208 |
| Chemical Properties | Back Directory | [Boiling point ]
310.4±37.0 °C(Predicted) | [density ]
1.626±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
-7.02±0.39(Predicted) | [Appearance]
Off-white to light yellow Solid | [InChI]
InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3 | [InChIKey]
OPXGPTXSLFZVCA-UHFFFAOYSA-N | [SMILES]
C1(C)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1 | [EPA Substance Registry System]
Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- (13162-43-1) |
| Hazard Information | Back Directory | [Synthesis]
A convenient synthesis of 4, 6-dihydro-2-methyl-pyrimidine can be obtained by cyclization reaction of acetamidine hydrochloride and diethyl malonate in the presence of sodium methoxide for a 91.2 % yield. 4, 6-Dihydro-2-methyl-5-nitropyrimidine can be achieved by nitration under the mixed acids of nitric acid, trichloroacetic acid and acetic acid in an 88.3 % yield and then the chlorination using phosphorus oxytrichloride can afford 4,6-Dichloro-2-methyl-5-nitropyrimidine with an 82.6 % yield.
| [References]
[1] Asian Journal of Chemistry, 2014, vol. 26, # 12, p. 3559 - 3561
[2] Patent: US6849647, 2005, B1. Location in patent: Page/Page column 134
[3] Journal of Medicinal Chemistry, 2000, vol. 43, # 22, p. 4288 - 4312
[4] Patent: US6107300, 2000, A
[5] Patent: US6245769, 2001, B1 |
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