4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE Chemical Properties

Melting point:

249 °C

Boiling point:

315.6±27.0 °C(Predicted)

Density 

1.27±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Inert atmosphere,2-8°C

solubility 

DMSO, Ethanol, Methanol

pka

3.00±0.10(Predicted)

form 

Powder

color 

Pale yellow

Water Solubility 

Slightly soluble in water (6.4 g/L at 25°C). Soluble in dimethyl sulfoxide, ethanol and methanol.

InChI

InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)

InChIKey

YBPNIILOUYAGIF-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

698-29-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

22-37/38-41

Safety Statements 

26-39

WGK Germany 

WGK 1

Hazard Note 

Irritant

HazardClass 

6.1

HS Code 

2933599590

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3

4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE Usage And Synthesis

Chemical Properties

Pale-Yellow Crystalline Solid

Uses

4-Amino-5-cyano-2-methylpyrimidine is used as a pharmaceutical intermediate.

Synthesis

To a clean 20L reaction flask, add 5kg of water, 5kg of ethanol and mix well. Take solid sodium hydroxide 1.8kg, add to the system and stir for 30min. until completely dissolved. Cool down the ice bath to below 25 degrees Celsius, add 3.2kg of acetamidine hydrochloride, basically no exothermic, white turbid liquid. After adding, stirring for 10min. dropwise addition of ethanol solution of dicyanoacetate, dropwise initial exothermic, insulation below 30 degrees Celsius, the back of the basic non-exothermic, can accelerate the acceleration of the drop. Dropping finished, warming to 65-70 ?? reaction 1.5h. reaction solution while hot slowly poured into 10kg of ice water, stirring for 20min. treatment of liquid centrifuge centrifugation, get 4.6kg of wet product. 70-75 ?? blast drying, to constant weight. Obtained white solid 3.6kg, liquid phase 98.2%, yield 85.7%.

4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE(698-29-3)Related Product Information

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• 4-MORPHOLINO-6-PHENYL-2-(3-PYRIDINYL)-5-PYRIMIDINECARBONITRILE
• 4-(ISOPROPYLAMINO)-6-PHENYL-2-(4-PYRIDINYL)-5-PYRIMIDINECARBONITRILE
• 4-(4-CHLOROPHENYL)-6-(ISOPROPYLAMINO)-2-(4-PYRIDINYL)-5-PYRIMIDINECARBONITRILE
• 4-(DIMETHYLAMINO)-6-PHENYL-2-(4-PYRIDINYL)-5-PYRIMIDINECARBONITRILE
• 4-(4-CHLOROPHENYL)-6-(DIETHYLAMINO)-2-PHENYL-5-PYRIMIDINECARBONITRILE