BENZYL 3-PYRROLINE-1-CARBOXYLATE Chemical Properties

Boiling point:

133-137 °C0.6 mm Hg(lit.)

Density 

1.132 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.544(lit.)

Flash point:

>230 °F

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

pka

-1.51±0.20(Predicted)

form 

Liquid

color 

Colorless to pale yellow

InChI

InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H2

InChIKey

XSKKIFJNZPNVGO-UHFFFAOYSA-N

SMILES

N1(C(OCC2=CC=CC=C2)=O)CC=CC1

CAS DataBase Reference

31970-04-4

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

HS Code 

29339900

BENZYL 3-PYRROLINE-1-CARBOXYLATE Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

Benzyl 3-Pyrroline-1-carboxylate is an heterocyclic building block used in the synthesis of pharmaceutical products including inhibitors. It is used in synthesis of novel series of pyrrolotriazine, acting as a pan-Aurora kinase inhibitors.

Synthesis

3-Pyrroline was added to a round-bottomed flask, 10% aqueous sodium carbonate was added and stirred to dissolve, then dioxane was added, and a 10% dioxane solution of benzyl chloroformate was slowly added dropwise into the reaction solution under an ice bath, and after the dropwise addition was completed the reaction was carried out in an ice bath for 2 hours, and then at room temperature for 8 hours, and the reaction was diluted with the addition of water, and extracted with ether 4 times, the aqueous layer was placed in an ice bath, the pH was adjusted with concentrated hydrochloric acid until the Congo red paper showed blue, placed in a refrigerator overnight, the white precipitate was extracted with ethyl acetate, the combined organic liquids were washed with water, the organic layer was dried with anhydrous magnesium sulfate, and pumped dry to obtain the product benzyl 2,5-dihydropyrrolidine-1-carboxylate.

BENZYL 3-PYRROLINE-1-CARBOXYLATE(31970-04-4)Related Product Information

• Benzyl formate