4,6-Dichloropyrimidine

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;PyrimidinesHeterocyclic Building Blocks;Heterocycle-Pyrimidine series;alkyl chloride;Pyrimidines;Pyridines, Pyrimidines, Purines and Pteredines;PYRIMIDINE;FINE Chemical & INTERMEDIATES;Halides;Heterocycles;Pyrazines, Pyrimidines & Pyridazines;Nucleotides and Nucleosides;J’s;bc0001;1193-21-1
Mol File:1193-21-1.mol
4,6-Dichloropyrimidine Structure
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
InChIKeyXJPZKYIHCLDXST-UHFFFAOYSA-N
LogP1.45 at 25℃ and pH7.2
Surface tension65.72mN/m at 1g/L and 20℃
CAS DataBase Reference1193-21-1(CAS DataBase Reference)
NIST Chemistry ReferencePyrimidine, 4,6-dichloro-(1193-21-1)
Safety Information
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
19
Hazard Note Corrosive
HazardClass 8
PackingGroup II
HS Code 29335990
MSDS Information
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4,6-DichloropyrimidineEnglish
SigmaAldrichEnglish
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ALFAEnglish
4,6-Dichloropyrimidine Usage And Synthesis
Uses4,6-Dichloropyrimidine (cas# 1193-21-1) is a compound useful in organic synthesis.
Chemical PropertiesYellow Solid
Uses4,6-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 DescriptionCyclic voltammograms of 4,6-dichloropyrimidine shows three cathodic waves, arising from sequential cleavage of carbon-chlorine bonds as well as the reduction of pyrimidine.
SynthesisThe 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 (200×2 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%.
synthesis of 4,6-Dichloropyrimidine
4,6-Dichloropyrimidine Preparation Products And Raw materials
Raw materialsSodium ethoxide–>4,6-Dihydroxypyrimidine–>MALONIC ACID DI-N-BUTYL ESTER
Preparation ProductsBensulfuron methyl–>Chlorimuron-ethyl–>4,6-DIBROMOPYRIMIDINE–>2-Amino-4,6-dimethoxypyrimidine–>ETRIMFOS–>4-Hydroxy-6-aminopyrimidine–>4-HYDRAZINO-6-HYDROXYPYRIMIDINE–>5-BROMO-4,6-DIMETHOXYPYRIMIDINE–>6-Chloropyrimidin-4(3H)-one–>2-Amino-4-Chloro-6-MethoxyPyrimidine–>4-Chloro-6-(1H-imidazol-1-yl)pyrimidine–>4,6-DIFLUOROPYRIMIDINE–>4-Chloro-6-thiophen-2-yl-pyrimidine–>4-Chloro-6-(cyclopropylamino)pyrimidine–>(6-ChloropyriMidin-4-yl)MethanaMine

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