(S)-3-(1-Aminoethyl)benzonitrile

Base Information

• Chemical Name: (S)-3-(1-Aminoethyl)benzonitrile
• CAS No.: 127852-22-6
• Molecular Formula: C9H10N2
• Molecular Weight: 146.19
• Hs Code.: 2926909090
• Mol file: 127852-22-6.mol

Synonyms:Benzonitrile,3-(1-aminoethyl)-, (S)-;(S)-1-(3-Cyanophenyl)ethylamine;

Chemical Property of (S)-3-(1-Aminoethyl)benzonitrile

Chemical Property:

• Appearance/Colour: White solid
• Refractive Index: 1.557
• Boiling Point: 251.4 °C at 760 mmHg
• PKA: 8.59±0.10(Predicted)
• Flash Point: 105.8 °C
• PSA: 49.81000
• Density: 1.06 g/cm³
• LogP: 2.27828
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

(S)-3-(1-Aminoethyl)BenzonitrileHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-3-(1-Aminoethyl)benzonitrile

There total 3 articles about (S)-3-(1-Aminoethyl)benzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(S)-1-(3-cyanophenyl)-1-azidoethane (317829-71-3) → (S)-α-(m-cyanophenyl)ethylamine (127852-22-6)

Guidance literature:

With hydrogenchloride; sodium hydroxide; triphenylphosphine; In diethyl ether; water; benzene;

Reference yield:

3-acethylbenzonitrile (6136-68-1) → (S)-α-(m-cyanophenyl)ethylamine (127852-22-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 15 percent / sodium cyanohydridoborate, ammonium chloride / methanol; acetic acid / 48 h / 40 °C

With ammonium chloride; sodium cyanoborohydride; In methanol; acetic acid;

Reference yield:

1-(R)-(+)-(3-cyanophenyl)-ethylamine (153994-67-3) → (S)-α-(m-cyanophenyl)ethylamine (127852-22-6) + (R)-α-(m-cyanophenyl)ethylamine (127852-31-7)

Guidance literature:

Yield given. Yields of byproduct given. Title compound not separated from byproducts;

upstream raw materials:

1-(R)-(+)-(3-cyanophenyl)-ethylamine

3-acethylbenzonitrile

(S)-1-(3-cyanophenyl)-1-azidoethane

Downstream raw materials:

2-[(S)-1-(3-cyanophenyl)ethylamino]-4-[benzimidazol-1-yl]pyrimidine

3-((S)-1-{[1-(2-Hydroxy-phenyl)-meth-(E)-ylidene]-amino}-ethyl)-benzonitrile

Refernces

• 1、 Pickard, Simeon T.,Smith, Howard E.. "Optically active amines. 34.1 Application of the benzene chirality rule to ring-substituted phenylcarbinamines and carbinols". . p. 5741 - 5747. Retrieved 2007/10/02.