ChemicalBook--->CAS DataBase List--->114969-66-3

114969-66-3

114969-66-3 Structure

114969-66-3 Structure
IdentificationBack Directory
[Name]

5-BROMO-4-CYANOPYRIMIDINE
[CAS]

114969-66-3
[Synonyms]

4-Cyano-5-bromopyrimidine
5-BROMO-4-CYANOPYRIMIDINE
5-Bromo-4-cyanopyrinidine
5-bromo-4-Pyrimidinecarbonitrile
4-Pyrimidinecarbonitrile, 5-bromo-
5-BROMO-4-CYANOPYRIMIDINE ISO 9001:2015 REACH
[Molecular Formula]

C5H2BrN3
[MDL Number]

MFCD09999211
[MOL File]

114969-66-3.mol
[Molecular Weight]

184
Chemical PropertiesBack Directory
[Boiling point ]

328.6±27.0 °C(Predicted)
[density ]

1.86±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

-3.53±0.16(Predicted)
[Appearance]

White to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
[RIDADR ]

UN2811
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMO-4-CYANOPYRIMIDINE(114969-66-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

Trimethylsilyl cyanide

7677-24-9

5-bromopyrimidine N-oxide

36529-69-8

5-BROMO-4-CYANOPYRIMIDINE

114969-66-3

ii) At room temperature, 5-bromopyrimidine-1-oxide (0.46 mmol) was dissolved in acetonitrile (50 mL) and trimethylmethylsilyl cyanide (0.92 mmol) and triethylamine (1.84 mmol) were added sequentially. The reaction mixture was stirred at room temperature for 2 hours. After completion of the reaction, the crude product was concentrated and purified by silica gel column chromatography (eluent: hexane/ethyl acetate) to afford 4-cyano-5-bromopyrimidine (0.46 g, 20% yield).1H NMR (CDCl3) δ (ppm): 9.27 (s, 1H); 9.09 (s, 1H).

[References]

[1] Patent: US2007/37820, 2007, A1. Location in patent: Page/Page column 14
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