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| | 4,6-Dichloropyrimidine Basic information | | Uses |
| Product Name: | 4,6-Dichloropyrimidine | | Synonyms: | IFLAB-BB F2124-0077;PYRIMIDINE, 4,6-DICHLORO-;4 6-DICHLOROPYRIMIDINE 99%;4,6-Dichoropyrimidine;Pyrimidine, 4,6-dichloro- (7CI,8CI,9CI);4,6-DICHLOROPYRIMIDINE;4,6-Dichloropyrimidine ,98%;4,6-Dichloropyrimidine,97% | | CAS: | 1193-21-1 | | MF: | C4H2Cl2N2 | | MW: | 148.98 | | EINECS: | 214-770-2 | | Product Categories: | Bases & Related Reagents;Nucleotides;Pyrazines, Pyrimidines & Pyridazines;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;PYRIMIDINE;FINE Chemical & INTERMEDIATES;Halides;Pyridines, Pyrimidines, Purines and Pteredines;Pyrimidines;PyrimidinesHeterocyclic Building Blocks;Heterocycle-Pyrimidine series;alkyl chloride;Heterocycles;Pyrazines, Pyrimidines & Pyridazines;Nucleotides and Nucleosides;J's;bc0001;1193-21-1 | | Mol File: | 1193-21-1.mol |  |
| | 4,6-Dichloropyrimidine Chemical Properties |
| Melting point | 65-67 °C (lit.) | | Boiling point | 176 °C (lit.) | | density | 1.6445 (rough estimate) | | vapor pressure | 30-390Pa at 20-50℃ | | refractive index | 1.6300 (estimate) | | Fp | 176°C | | storage temp. | Inert atmosphere,2-8°C | | solubility | 95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow | | pka | -4.20±0.17(Predicted) | | form | Crystals | | color | Yellow-green | | BRN | 111195 | | InChIKey | XJPZKYIHCLDXST-UHFFFAOYSA-N | | LogP | 1.45 at 25℃ and pH7.2 | | Surface tension | 65.72mN/m at 1g/L and 20℃ | | CAS DataBase Reference | 1193-21-1(CAS DataBase Reference) | | NIST Chemistry Reference | Pyrimidine, 4,6-dichloro-(1193-21-1) |
| Hazard Codes | C | | Risk Statements | 34-20/21/22-36/37 | | Safety Statements | 26-36/37/39-45-27 | | RIDADR | UN 3263 8/PG 2 | | WGK Germany | 3 | | F | 19 | | Hazard Note | Corrosive | | HazardClass | 8 | | PackingGroup | II | | HS Code | 29335990 |
| | 4,6-Dichloropyrimidine Usage And Synthesis |
| Uses | 4,6-Dichloropyrimidine (cas# 1193-21-1) is a compound useful in organic synthesis. | | Chemical Properties | Yellow Solid | | Uses | 4,6-Dichloropyrimidine was used in the synthesis of N-substituted azacalix[4]pyrimidines. It was used as starting reagent for the synthesis of disubstituted pyrimidines by tandem amination and Suzuki-Miyaura cross-coupling. It was also used in a biarylpyrimidine synthesis involving biaryl cross-coupling. | | General Description | Cyclic voltammograms of 4,6-dichloropyrimidine shows three cathodic waves, arising from sequential cleavage of carbon-chlorine bonds as well as the reduction of pyrimidine. | | Synthesis | The synthesis of 4,6-Dichloropyrimidine is as follows:Dissolve 105.5g of 4,6-diaminopyrimidine in 660.0g of 31% hydrochloric acid and pour into a 2000ml bottle to cool to -5 ° C and dropwise add 500.3g of 33% sodium nitrite. After 2 hours of reaction, HPLC detects 4,6-diamino Pyrimidine is less than 0.5%. 42.8 g of cuprous chloride and 214.0 g of 31% hydrochloric acid are prepared in a 2000 ml bottle. The diazonium salt mother liquor is added dropwise to the bottle. After the dropwise reaction, the reaction is performed at 45 ° C for 2 hours. .Extract with 400g of recovered trichloroethane (200x2 times less than new ones), combine the organic layers for distillation, control the water flush pump 5KPa, temperature 40-140 , collect 404.2g of solvent in the early 40-90 , 90-140 in the later The product was collected at a temperature of 14 ° C to obtain 146.9 g of 4,6-dichloropyrimidine. The yield was 86.4% (based on formazan hydrochloride) and the purity was 99.4%.
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| | 4,6-Dichloropyrimidine Preparation Products And Raw materials |
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