| Identification | Back Directory | [Name]
2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE | [CAS]
50270-27-4 | [Synonyms]
SKL326
5-Formyl-2,4,6-trichloropyrimidine
6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE
2,4,6-TrichloropyriMidin-5-carbaldehyde
2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde
2,4,6-Trichloropyrimidine-5-carboxaldehyde
5-PyriMidinecarboxaldehyde,2,4,6-trichloro-
2,4,6-Trichloropyrimidine-5-carboxaldehyde,97%
2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE ISO 9001：2015 REACH | [Molecular Formula]
C5HCl3N2O | [MDL Number]
MFCD02257700 | [MOL File]
50270-27-4.mol | [Molecular Weight]
211.433 |
| Questions And Answer | Back Directory | [Uses]
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde is a useful reagent for organic synthesis. | [Solubility]
2,4,6-TRICHLORO-PYRIMIDINE-5-CARBALDEHYDE is slightly soluble in water. |
| Chemical Properties | Back Directory | [Melting point ]
131-132℃ | [Boiling point ]
278.6±35.0 °C(Predicted) | [density ]
1.713±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Store in freezer, under -20°C | [form ]
Solid | [pka]
-8.75±0.39(Predicted) | [color ]
White to brown | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H | [InChIKey]
KVJIRFGNHAAUNQ-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC(Cl)=C(C=O)C(Cl)=N1 |
| Hazard Information | Back Directory | [Synthesis]
1. Pyrimidine-2,4,6-triol (10.0 g, 78.2 mmol) was dissolved with N,N-dimethylformamide (12 mL) in phosphorus trichloride (10 vol. eq.) and heated to reflux for 15 h. 2. Upon completion of the reaction, the excess of phosphorus trichloride was removed by distillation under reduced pressure. 3. The residue of the reaction was slowly poured into crushed ice and precipitated as a solid. 4. The solid product was collected by filtration and washed with cold water. The solid product was collected by filtration and washed with cold water to give 2,4,6-trichloropyrimidine-5-carboxaldehyde (8.0 g, 47% yield) as a yellow solid. 5. The crude product did not need to be further purified, and could be used in the subsequent reaction directly. | [References]
[1] Angewandte Chemie - International Edition, 2006, vol. 45, # 43, p. 7262 - 7265
[2] Patent: WO2012/103297, 2012, A1. Location in patent: Page/Page column 84-85
[3] Patent: WO2017/12576, 2017, A1. Location in patent: Page/Page column 197
[4] Patent: WO2011/14535, 2011, A1. Location in patent: Page/Page column 100
[5] Patent: WO2004/18435, 2004, A1. Location in patent: Page 55-56 |
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