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3-(BENZYLAMINO)PROPIONITRILE

CAS No.
706-03-6
Chemical Name:
3-(BENZYLAMINO)PROPIONITRILE
Synonyms
β-(Benzylamino)propionitrile;3-(BENZYLAMINO)PROPIONITRILE;3-(Benzylamino)propionitrile 97%;3-(BENZYLAMINO)PROPIONITRILE, 97+%;N-(2-Cyanoethyl)benzenemethanamine;3-[(Phenylmethyl)amino]propanenitrile;Propanenitrile, 3-[(phenylmethyl)amino]-
CBNumber:
CB1159680
Molecular Formula:
C10H12N2
Molecular Weight:
160.22
MDL Number:
MFCD00001955
MOL File:
706-03-6.mol
Last updated:2023-04-23 13:52:06

3-(BENZYLAMINO)PROPIONITRILE Properties

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

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
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
NFPA 704
1
2 0

3-(BENZYLAMINO)PROPIONITRILE price More Price(12)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 185167 3-(Benzylamino)propionitrile 97% 706-03-6 25g $98.2 2023-06-20 Buy
Sigma-Aldrich 185167 3-(Benzylamino)propionitrile 97% 706-03-6 100g $256 2023-06-20 Buy
Alfa Aesar 041949 3-(Benzylamino)propionitrile, 97+% 706-03-6 5g $23.65 2024-03-01 Buy
Alfa Aesar 041949 3-(Benzylamino)propionitrile, 97+% 706-03-6 25g $72.65 2024-03-01 Buy
Alfa Aesar 041949 3-(Benzylamino)propionitrile, 97+% 706-03-6 100g $227.65 2024-03-01 Buy
Product number Packaging Price Buy
185167 25g $98.2 Buy
185167 100g $256 Buy
041949 5g $23.65 Buy
041949 25g $72.65 Buy
041949 100g $227.65 Buy

3-(BENZYLAMINO)PROPIONITRILE Chemical Properties,Uses,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.

2417-90-5
100-46-9
706-03-6
Synthesis of 3-(BENZYLAMINO)PROPIONITRILE from 3-BROMOPROPIONITRILE and Benzylamine

3-(BENZYLAMINO)PROPIONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-(BENZYLAMINO)PROPIONITRILE 3-(BENZYLAMINO)PROPIONITRILE, 97+% 3-[(Phenylmethyl)amino]propanenitrile N-(2-Cyanoethyl)benzenemethanamine β-(Benzylamino)propionitrile 3-(Benzylamino)propionitrile 97% Propanenitrile, 3-[(phenylmethyl)amino]- 706-03-6 C10H12N2 C6H5CH2NHCH2CH2CN Nitrogen Compounds Organic Building Blocks Cyanides/Nitriles Building Blocks C10 to C27 C10 to C27 Cyanides/Nitriles Nitrogen Compounds