CAS 706-03-6

3-[(Phenylmethyl)amino]propanenitrile

Description:

3-[(Phenylmethyl)amino]propanenitrile, also known by its CAS number 706-03-6, is an organic compound characterized by the presence of a nitrile functional group and an amino group attached to a propyl chain. This compound features a phenylmethyl (benzyl) substituent, which contributes to its aromatic properties. The molecular structure includes a three-carbon chain (propane) with a nitrile group (-C≡N) at one end and an amino group (-NH-) linked to a benzyl group at the second carbon. This configuration imparts both polar and nonpolar characteristics, making it soluble in various organic solvents while exhibiting limited solubility in water. The presence of the amino group allows for potential interactions such as hydrogen bonding, which can influence its reactivity and biological activity. 3-[(Phenylmethyl)amino]propanenitrile may be of interest in pharmaceutical research and organic synthesis due to its functional groups, which can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions.

Formula: C₁₀H₁₂N₂

InChI: InChI=1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2

InChI key: InChIKey=MWTGBAURSCEGSL-UHFFFAOYSA-N

SMILES: C(NCCC#N)C1=CC=CC=C1

Synonyms:

• (2-Cyanoethyl)(phenylmethyl)amine
• 3-(Benzylamino)Propanenitrile
• 3-[(Phenylmethyl)amino]propanenitrile
• Ai3-20448
• Benzyl(2-cyanoethyl)amine
• N-(2-Cyanoethyl)benzylamine
• N-Benzyl-2-cyanoethylamine
• N-benzyl-2-cyanoethanaminium
• Propanenitrile, 3-((phenylmethyl)amino)-
• Propionitrile, 3-(benzylamino)-
• β-(Benzylamino)propionitrile

3-(Benzylamino)propionitrile, 97+%

CAS: 706-03-6

3-(Benzyl amino)propionitrile was used as starting reagent in the synthesis of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile. It undergoes aza-type Michael reaction with 1-hydroxymethyl-5-methyl-1H-pyrazole-3-carboxylic acid

Formula: C₆H₅CH₂NHCH₂CH₂CN

Purity: 97+%

Molecular weight: 160.22

Ref: 02-041949

3-(BENZYLAMINO)PROPIONITRILE

CAS: 706-03-6

Formula: C₁₀H₁₂N₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 160.2157

Ref: IN-DA003I6E

3-(Benzylamino)Propanenitrile

CAS: 706-03-6

3-(Benzylamino)Propanenitrile

Purity: 95%

Molecular weight: 160.22g/mol

Ref: 54-OR1010685

3-(BENZYLAMINO)PROPIONITRILE

CAS: 706-03-6

Purity: 97%

Molecular weight: 160.2200012

Ref: 10-F862657

β-(Benzylamino)propionitrile

Controlled Product

CAS: 706-03-6

Applications β-(Benzylamino)propionitrile is used in the michael addition of primary and secondary amines to acrylonitrile catalyzed by lipases.
References de Souza, R.O.M.A., et al.: Tetrahedron. Lett., 50, 2017 (2009);

Formula: C₁₀H₁₂N₂

Color and Shape: Neat

Molecular weight: 160.22

Ref: TR-B224890

²-(Benzylamino)propionitrile

CAS: 706-03-6

²-(Benzylamino)propionitrile is a synthetic organic compound that is used in the synthesis of catalytic amines and aziridinium salts. It is an intermediate for the production of amines and aziridinium salts, which are compounds with a wide range of applications. ²-(Benzylamino)propionitrile also has the ability to be used as a ligand in metal-catalyzed reactions, such as hydrochloric acid catalyzed reactions. This chemical can be reused several times and is stable at temperatures from 0 to 150 ˚C.

Formula: C₁₀H₁₂N₂

Purity: Min. 95%

Molecular weight: 160.22 g/mol

Ref: 3D-AAA70603