2-(4-Benzylpiperidino)acetonitrile

Base Information

• Chemical Name: 2-(4-Benzylpiperidino)acetonitrile
• CAS No.: 25842-31-3
• Molecular Formula: C14H18 N2
• Molecular Weight: 214.31
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00443413
• Nikkaji Number: J829.838F
• Wikidata: Q82261211
• Mol file: 25842-31-3.mol

Synonyms:25842-31-3;2-(4-benzylpiperidino)acetonitrile;2-(4-benzylpiperidin-1-yl)acetonitrile;SCHEMBL1307198;(4-Benzylpiperidino)acetonitrile;DTXSID00443413;SHAVSWMWBQLOQB-UHFFFAOYSA-N;1-(Cyanomethyl)-4-benzylpiperidine;MFCD09152769;(4-Benzylpiperidin-1-yl)acetonitrile;AKOS005071595;AB-0820;(4-Benzyl-piperidin-1-yl)-acetonitrile;CS-0269921;FT-0680795;Z123816468

Chemical Property of 2-(4-Benzylpiperidino)acetonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 54-56°
• Refractive Index: 1.542
• Boiling Point: 340.386°C at 760 mmHg
• PKA: 5.74±0.10(Predicted)
• Flash Point: 142.148°C
• PSA: 27.03000
• Density: 1.036g/cm³
• LogP: 2.40258
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.146998583
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Benzylpiperidin-1-yl)acetonitrile 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1CC2=CC=CC=C2)CC#N

Technology Process of 2-(4-Benzylpiperidino)acetonitrile

There total 3 articles about 2-(4-Benzylpiperidino)acetonitrile 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: 75.0%

4-benzylpyperidine (31252-42-3) + cyanomethyl bromide (590-17-0) → 2-(4-benzylpiperidin-1-yl)acetonitrile (25842-31-3)

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 60 ℃; for 3h;

DOI:10.1021/acs.jmedchem.7b00791

Reference yield: 70.0%

4-benzylpyperidine (31252-42-3) + chloroacetonitrile (107-14-2) → 2-(4-benzylpiperidin-1-yl)acetonitrile (25842-31-3)

Guidance literature:

With sodium carbonate; In acetone; for 2h; Ambient temperature;

DOI:10.1021/jm00173a011

Reference yield:

→ 2-(4-benzylpiperidin-1-yl)acetonitrile (25842-31-3)

Guidance literature:

upstream raw materials:

4-benzylpyperidine

chloroacetonitrile

cyanomethyl bromide

Downstream raw materials:

1-(2-aminoethyl)-4-benzylpiperidine

N-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-2-methyl-benzamide

N-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-benzamide

N-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-2-bromo-benzamide

Refernces

• 1、 Amata, Emanuele,Dichiara, Maria,Arena, Emanuela,Pittalà, Valeria,Pistarà, Venerando,Cardile, Venera,Graziano, Adriana Carol Eleonora,Fraix, Aurore,Marrazzo, Agostino,Sortino, Salvatore,Prezzavento, Orazio. "Novel Sigma Receptor Ligand-Nitric Oxide Photodonors: Molecular Hybrids for Double-Targeted Antiproliferative Effect". . p. 9531 - 9544,9531 - 9544. Retrieved 2017/12/15.
• 2、 Ouyang, Xiaohu,Armstrong, Robert W.,Murphy, Martin M.. "A Novel Cleavage Technique to Generate Small Molecule Compounds and Libraries via a Two-Resin System". . p. 1027 - 1032. Retrieved 2007/10/03.