4,6-dichloropyrimidine-5-carbonitrile Chemical Properties

Melting point:

145 °C

Boiling point:

335.2±37.0 °C(Predicted)

Density 

1.60

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

pka

-7.00±0.26(Predicted)

Appearance

White to yellow Solid

InChI

InChI=1S/C5HCl2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H

InChIKey

IPEBKIMUIHKZJP-UHFFFAOYSA-N

SMILES

C1=NC(Cl)=C(C#N)C(Cl)=N1

Safety Information

HS Code 

2933599590

4,6-dichloropyrimidine-5-carbonitrile Usage And Synthesis

Uses

4,6-dichloropyrimidine-5-carbonitrile can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Synthesis

4,6-Dichloro-5-pyrimidinecarbaldehyde oxime (8 g) was dissolved in CHCl3 (40 mL) and treated with SOCl2 (6 mL) for 2 h at rt. The solvent was removed and the residue was dissolved in DCM (5 mL). The resulting solid was filtered and washed with DCM (5 mL). The filtrate was concentrated under reduced pressure and purified by silica gel column chromatography using DCM-hexane (3:1) to give 4,6-dichloro-5-pyrimidinecarbonitrile. White solid.

References

[1] Patent: WO2004/65380, 2004, A1. Location in patent: Page 151-152
[2] Organic and Biomolecular Chemistry, 2011, vol. 9, # 5, p. 1516 - 1522
[3] Patent: WO2010/151735, 2010, A2. Location in patent: Page/Page column 56-57
[4] Patent: US2011/152296, 2011, A1. Location in patent: Page/Page column 15
[5] Patent: US2011/245257, 2011, A1. Location in patent: Page/Page column 15

4,6-dichloropyrimidine-5-carbonitrile(5305-45-3)Related Product Information

• 5-ACETALDEHYDEYL-4,6-DICHLOROPYRIMIDINE
• 2,4-Dichlorobenzonitrile
• 2,4-Dichloropyrimidine
• 4,6-Dichloropyrimidine
• 4,6-DICHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE
• 2,4,6-TRICHLORO-5-CYANOPYRIMIDINE
• 4,6-dichloropyrimidine-5-carbonitrile
• 4,6-DICHLORO-2-METHYLPYRIMIDINE-5-CARBONITRILE