4-CYANOPHENYLETHYLAMINE HCL

Base Information

• Chemical Name: 4-CYANOPHENYLETHYLAMINE HCL
• CAS No.: 167762-80-3
• Molecular Formula: C₉H₁₀N₂*ClH
• Molecular Weight: 182.653
• Hs Code.: 2926909090
• Mol file: 167762-80-3.mol

Synonyms:4-(2-Amino-ethyl)-benzonitrile hydrochloride;P-Cyano Phenylethylamine Hydrochloride;4-(2-aminoethyl)-benzonitrilehydrochloride;

Chemical Property of 4-CYANOPHENYLETHYLAMINE HCL

Chemical Property:

• Vapor Pressure: 0.000247mmHg at 25°C
• Melting Point: 211-216°C
• Boiling Point: 319.5 °C at 760 mmHg
• Flash Point: 147 °C
• PSA: 49.81000
• LogP: 2.56178
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Aminoethyl)benzonitrile hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(2-Aminoethyl)benzonitrile, HCl

Technology Process of 4-CYANOPHENYLETHYLAMINE HCL

There total 1 articles about 4-CYANOPHENYLETHYLAMINE HCL 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:

trimethyl phosphonoacetate (5927-18-4) + 4-cyanobenzaldehyde (105-07-7) → 4‐(2‐aminoethyl)benzonitrile hydrochloride (167762-80-3)

Guidance literature:

With hydrogenchloride; lithium hydroxide; TEA; diphenyl-phosphinic acid; hydrogen; sodium hydride; Pd-BaSO₄; Multistep reaction; 1.) THF, 2.) toluene, 3.) p-dioxane, H₂O, 4.) t-BuOH, reflux, 5.) EtOAc;

DOI:10.1016/0960-894X(96)00442-8

Reference yield:

iminodicarboxylic acid di-tert-butyl ester (51779-32-9) + 4‐(2‐aminoethyl)benzonitrile hydrochloride (167762-80-3) → tert-butyl N-[2-(4-cyanophenyl)ethyl]carbamate (172348-86-6)

Guidance literature:

With dmap; triethylamine; In tetrahydrofuran; Cooling with ice;

Reference yield:

4‐(2‐aminoethyl)benzonitrile hydrochloride (167762-80-3) → 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzonitrile

Guidance literature:

Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine / ethyl acetate / 16 h / 23 °C

2: acetic acid; zinc / water / 3 h / 23 °C

3: dimethylsulfone / 3 h / 150 °C / Sealed tube

With dimethylsulfone; acetic acid; N-ethyl-N,N-diisopropylamine; zinc; In water; ethyl acetate;

DOI:10.1016/j.bmc.2016.07.053

upstream raw materials:

trimethyl phosphonoacetate

4-cyanobenzaldehyde

Downstream raw materials:

tert-butyl N-[2-(4-cyanophenyl)ethyl]carbamate

Refernces