2-(1-Benzylpiperidin-4-yl)acetonitrile

Base Information

• Chemical Name: 2-(1-Benzylpiperidin-4-yl)acetonitrile
• CAS No.: 78056-67-4
• Molecular Formula: C14H18 N2
• Molecular Weight: 214.31
• Hs Code.: 2933399090
• European Community (EC) Number: 278-822-6
• DSSTox Substance ID: DTXSID50999298
• Nikkaji Number: J236.693B
• Mol file: 78056-67-4.mol

Synonyms:78056-67-4;2-(1-benzylpiperidin-4-yl)acetonitrile;2-(1-Benzyl-4-piperidyl)acetonitrile;(1-BENZYLPIPERIDIN-4-YL)ACETONITRILE;1-Benzylpiperidine-4-acetonitrile;EINECS 278-822-6;4-Piperidineacetonitrile,1-(phenylmethyl)-;SCHEMBL2407205;DTXSID50999298;1-Benzyl-4-piperidineacetonitrile;(1-Benzyl-4-piperidyl)acetonitrile;MFCD00010108;STL191123;AKOS000268975;CS-W001644;KF-0239;SB44068;(1-Benzyl-4-piperidinyl)acetonitrile #;1-(phenylmethyl)-4-piperidineacetonitrile;4-Piperidineacetonitrile, 1-(phenylmethyl)-;A914331;J-505314

Chemical Property of 2-(1-Benzylpiperidin-4-yl)acetonitrile

Chemical Property:

• Vapor Pressure: 4.88E-05mmHg at 25°C
• Boiling Point: 348.9°C at 760 mmHg
• Flash Point: 147.4°C
• PSA: 27.03000
• Density: 1.036g/cm³
• LogP: 2.75018
• XLogP3: 2.2
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1CC#N)CC2=CC=CC=C2

Technology Process of 2-(1-Benzylpiperidin-4-yl)acetonitrile

There total 9 articles about 2-(1-Benzylpiperidin-4-yl)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: 86.0%

ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate (1463-52-1) → 1-(phenylmethyl)-4-piperidineacetonitrile (78056-67-4)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In N,N-dimethyl-formamide; Reflux;

DOI:10.1016/j.ejmech.2013.10.024

Reference yield: 82.0%

2-(1-benzylpiperidin-4-ylidene)acetonitrile (55022-82-7) → 1-(phenylmethyl)-4-piperidineacetonitrile (78056-67-4)

Guidance literature:

2-(1-benzylpiperidin-4-ylidene)acetonitrile; With magnesium; In methanol; at 5 - 10 ℃; for 4h;

With hydrogenchloride; In methanol; water;

With sodium hydroxide; In methanol; water;

Reference yield:

ethyl α-cyano-1-(phenylmethyl)-4-piperidineacetate → 1-(phenylmethyl)-4-piperidineacetonitrile (78056-67-4)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl acetamide; water;

upstream raw materials:

2-(1-benzylpiperidin-4-ylidene)acetonitrile

1-phenylmethyl-4-piperidone

methyl N-benzyl-piperidin-4-yl-cyanoacetate

2-(1-benzylpiperidin-4-ylidene)malononitrile

Downstream raw materials:

2-(1-benzyl-piperidin-4-yl)-N-hydroxy-acetamidine

N-[2-(1-benzyl-piperidin-4-yl)-1-hydroxyimino-ethyl]-3-(3,4-dimethoxy-phenyl)acrylamide

1-benzyl-4-{5-[2-(3,4-dimethoxy-phenyl)-vinyl]-[1,2,4]oxadiazol-3-ylmethyl}piperidine

4-{2-[3-(1-benzyl-piperidin-4-ylmethyl)-[1,2,4]oxadiazol-5-yl]-vinyl}-benzene-1,2-diol