3-(BENZYLAMINO)PROPIONITRILE Property

Melting point:

70 °C

Boiling point:

276.13°C (rough estimate)

Density 

1.024 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.5308(lit.)

Flash point:

>230 °F

storage temp. 

Refrigerator

solubility 

Soluble in DMSO.

form 

Liquid

pka

7.29±0.19(Predicted)

color 

Clear Colorless

Specific Gravity

1.024

CAS DataBase Reference

706-03-6

Safety

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-37/39

RIDADR 

UN3276

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269095

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

3-(BENZYLAMINO)PROPIONITRILE Chemical Properties,Usage,Production

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:

• (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds
• 1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
• 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile

Uses

3-(BenzylaMino)propionitrile is used in the michael addition of primary and secondary amines to acrylonitrile catalyzed by lipases.

Application

3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:
(3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds
1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile

General Description

3-(Benzylamino)propionitrile undergoes aza-type Michael reaction with 1-hydroxymethyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester under mild conditions.