| Identification | More | [Name]
2,4-Dichloro-5-nitropyrimidine | [CAS]
49845-33-2 | [Synonyms]
2,4-DICHLORO-5-NITROPYRIMIDINE
2,4-DICHLORO-5-NITROPYRIMIDINE 97%
Pyrimidine, 2,4-dichloro-5-nitro-
2,4-Dichloro-5-nitropyrimidine ,97% | [EINECS(EC#)]
629-447-5 | [Molecular Formula]
C4HCl2N3O2 | [MDL Number]
MFCD00127867 | [Molecular Weight]
193.98 | [MOL File]
49845-33-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow Solid | [Melting point ]
28-32 °C
| [Boiling point ]
0.9 °C0.5 mm Hg
| [density ]
2.0263 (rough estimate) | [refractive index ]
1.6100 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Keep under Argon | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid or Low Melting Solid | [pka]
-6.02±0.29(Predicted) | [color ]
Clear yellow | [Sensitive ]
Moisture Sensitive | [Detection Methods]
HPLC,NMR | [InChI]
InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H | [InChIKey]
INUSQTPGSHFGHM-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C([N+]([O-])=O)C(Cl)=N1 | [CAS DataBase Reference]
49845-33-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant/Moisture Sensitive/Keep under Argon | [HazardClass ]
IRRITANT, LACHRYMATOR | [HS Code ]
29335900 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [Uses]
Intermediate in a solid-phase synthesis of diaminopurines.1 | [Synthesis]
General procedure for the synthesis of 2,4-dichloro-5-nitropyrimidine from 5-nitropyrimidine-2,4(1H,3H)-dione: 5-nitrouracil (6.28 g, 0.040 mol) was mixed with phosphorus triclosan (26 mL), and N,N-dimethylaniline (8 mL) was slowly added under stirring conditions. The reaction mixture was then heated to 110 °C and maintained at this temperature for 8 hours. Upon completion of the reaction, the excess trichlorophosphorus was removed by distillation. The remaining mixture was ground and separated by silica gel column chromatography. Finally, the collected fractions were concentrated to give 6.2 g of yellow oily liquid product in 94% yield. | [References]
[1] Patent: CN106432239, 2017, A. Location in patent: Paragraph 0066; 0071; 0072
[2] Journal of Heterocyclic Chemistry, 2012, vol. 49, # 2, p. 321 - 328
[3] Tetrahedron Letters, 2006, vol. 47, # 50, p. 8897 - 8900
[4] Patent: WO2010/83645, 2010, A1. Location in patent: Page/Page column 27
[5] Patent: US7256196, 2007, B1. Location in patent: Page/Page column 8; 9-10 |
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