2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile

Base Information

• Chemical Name: 2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile
• CAS No.: 5424-11-3
• Molecular Formula: C22H26 N2
• Molecular Weight: 318.462
• Hs Code.: 2933399090
• European Community (EC) Number: 226-560-8
• NSC Number: 13176
• DSSTox Substance ID: DTXSID80863534
• Nikkaji Number: J218.006E
• ChEMBL ID: CHEMBL1900161
• Mol file: 5424-11-3.mol

Synonyms:5424-11-3;2,2-diphenyl-4-(1-piperidinyl)pentanenitrile;NSC13176;2,2-diphenyl-4-piperidin-1-ylpentanenitrile;MLS002638302;NSC-13176;2,2-DIPHENYL-4-PIPERIDINOVALERONITRILE;2,2-diphenyl-4-(piperidin-1-yl)pentanenitrile;NCIStruc1_001136;NCIStruc2_000799;CHEMBL1900161;DTXSID80863534;HMS3086B19;EINECS 226-560-8;NSC 13176;NCI60_000702;SMR001547790;gamma-Methyl-alpha,alpha-diphenyl-1-piperidinebutanenitrile;gamma-Methyl-alpha,alpha-diphenylpiperidine-1-butyronitrile

Chemical Property of 2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile

Chemical Property:

• Boiling Point: 475.4°Cat760mmHg
• Flash Point: 200.4°C
• PSA: 27.03000
• Density: 1.059g/cm³
• LogP: 4.69868
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 318.209598838
• Heavy Atom Count: 24
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3

Technology Process of 2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile

There total 7 articles about 2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile 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:

Diphenylacetonitrile (86-29-3) + 1-(2-chloro-propyl)-piperidine; hydrochloride (41821-48-1) → 2,2-diphenyl-4-piperidino-valeronitrile (5424-11-3) + 3-methyl-2,2-diphenyl-4-piperidino-butyronitrile (17371-45-8)

Guidance literature:

Diphenylacetonitrile; With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dimethyl sulfoxide; for 0.25h;

1-(2-chloro-propyl)-piperidine; hydrochloride; In dimethyl sulfoxide; at 40 ℃; for 1h;

DOI:10.3797/scipharm.aut-00-21

Reference yield:

1-piperidin-1-yl-propan-2-ol; hydrochloride → 2,2-diphenyl-4-piperidino-valeronitrile (5424-11-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: SOCl₂ / 24 h / 60 °C

2.1: benzyltriethylammonium chloride; aq. NaOH / dimethylsulfoxide / 0.25 h

2.2: dimethylsulfoxide / 1 h / 40 °C

With sodium hydroxide; thionyl chloride; N-benzyl-N,N,N-triethylammonium chloride; In dimethyl sulfoxide;

DOI:10.3797/scipharm.aut-00-21

Reference yield:

1-(2-chloro-propyl)-piperidine (698-92-0) + Diphenylacetonitrile (86-29-3) → 2,2-diphenyl-4-piperidino-valeronitrile (5424-11-3) + 3-methyl-2,2-diphenyl-4-piperidino-butyronitrile (17371-45-8)

Guidance literature:

With sodium amide; benzene;

DOI:10.1039/jr9500002158

upstream raw materials:

piperidine

4-bromo-2,2-diphenylpentanenitrile

1-(2-chloro-propyl)-piperidine

Diphenylacetonitrile

Downstream raw materials:

dipipanone

1-(1-methyl-3,3-diphenyl-propyl)-piperidine

4,4-diphenyl-6-piperidino-heptan-3-one-imine

Refernces