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706-03-6

706-03-6 Structure

706-03-6 Structure
IdentificationBack Directory
[Name]

3-(BENZYLAMINO)PROPIONITRILE
[CAS]

706-03-6
[Synonyms]

3-(BENZYLAMINO)PROPIONITRILE
β-(Benzylamino)propionitrile
3-(Benzylamino)propionitrile 97%
3-(BENZYLAMINO)PROPIONITRILE, 97+%
N-(2-Cyanoethyl)benzenemethanamine
3-[(Phenylmethyl)amino]propanenitrile
[EINECS(EC#)]

211-890-7
[Molecular Formula]

C10H12N2
[MDL Number]

MFCD00001955
[MOL File]

706-03-6.mol
[Molecular Weight]

160.22
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[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.)
[Fp ]

>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
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

β-(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.
Safety DataBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

3-(BENZYLAMINO)PROPIONITRILE(706-03-6)MS
3-(BENZYLAMINO)PROPIONITRILE(706-03-6)1HNMR
3-(BENZYLAMINO)PROPIONITRILE(706-03-6)13CNMR
3-(BENZYLAMINO)PROPIONITRILE(706-03-6)IR1
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