2-(chloromethyl)-4-methylquinazoline Chemical Properties

Melting point:

61.0 to 65.0 °C

Boiling point:

240.0±32.0 °C(Predicted)

Density 

1.251

vapor pressure 

0Pa at 20℃

storage temp. 

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

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

powder to crystal

pka

1.86±0.50(Predicted)

color 

Light yellow to Yellow to Orange

Water Solubility 

3.11g/L at 20℃

λmax

318nm(EtOH)(lit.)

InChIKey

UHCUBOJGMLASBY-UHFFFAOYSA-N

LogP

1.9 at 25℃

Safety Information

RIDADR 

3261

HazardClass 

8

PackingGroup 

III

HS Code 

2933998090

2-(chloromethyl)-4-methylquinazoline Usage And Synthesis

Chemical Properties

White to yellow powder

Uses

2-(Chloromethyl)-4-methylquinazoline, is a building block used for the preparation of Linagliptin (L465900), and its impurities, acting as type 2 diabetes drugs.

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 23, p. 1263, 1986 DOI: 10.1002/jhet.5570230458

Flammability and Explosibility

Not classified

Synthesis

Into a 500ml reaction flask, add o-aminoacetophenone, chloroacetonitrile, 1,4-dioxane, and N-methyl-3(3-sulfopropyl)imidazolium hydrogen sulfate prepared above. Stir to dissolve, cool the reaction system to 8°C, and dropwise add hydrochloric acid to the reaction system. The reaction temperature was kept unchanged during the dropwise addition. After that, the reaction was continued at 8°C for 18 hours to complete the reaction process. After the reaction, ammonia water (the concentration of ammonia water was 10wt%) at 5°C was added to the reaction system. After stirring and crystallizing at 5 for 30 minutes, filter to obtain a filter cake, washing the filter cake with water. Recrystallized with 200ml of dichloromethane to obtain 2-(chloromethyl)-4-methylquinazoline. yield: 85.14%

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