Pyrimidine, 2-ethynyl- (9CI) Chemical Properties

Melting point:

96.5°C

Boiling point:

228.2±23.0 °C(Predicted)

Density 

1.11±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

pka

-0.58±0.13(Predicted)

form 

powder

Appearance

Yellow to brown Solid

InChI

InChI=1S/C6H4N2/c1-2-6-7-4-3-5-8-6/h1,3-5H

InChIKey

BMNUHRHTDNKJII-UHFFFAOYSA-N

SMILES

C1(C#C)=NC=CC=N1

Safety Information

Hazard Codes 

Xi

Risk Statements 

36

Safety Statements 

26

HS Code 

2933599590

Pyrimidine, 2-ethynyl- (9CI) Usage And Synthesis

Synthesis

General procedure for the synthesis of 2-ethynylpyrimidine from the compound (CAS: 193631-86-6): 1 M TBAF (18.5 mL, 18.5 mmol) was added to 3 mL (3.2 g, 18.5 mmol) of a 10 mL solution of THF, and the reaction was carried out for 3 min. Monitoring by TLC showed complete consumption of the feedstock. Subsequently, the reaction mixture was concentrated under vacuum. The crude product was purified by silica gel column chromatography to afford the target product 4 (1.3 g, yield: 68.8%).LCMS analysis showed m/z of 105 ([M + H]+).

References

[1] Patent: WO2017/173604, 2017, A1. Location in patent: Page/Page column 17; 18
[2] Patent: WO2017/117708, 2017, A1. Location in patent: Page/Page column 18
[3] Carbohydrate Research, 2011, vol. 346, # 9, p. 1083 - 1092

Pyrimidine, 2-ethynyl- (9CI)(37972-24-0)Related Product Information

• pyriMidin-5-ol HCl
• PYRROLIDINEHYDROCHLORIDE
• Pyrimidine-5-boronic acid pinacol ester
• 2,5-Diethynylpyridine
• Pyrimidine, 2-ethynyl- (9CI)