(1-Benzylpiperidin-4-yl)propanedinitrile

Base Information

• Chemical Name: (1-Benzylpiperidin-4-yl)propanedinitrile
• CAS No.: 744195-35-5
• Molecular Formula: C₁₅H₁₇N₃
• Molecular Weight: 239.32
• DSSTox Substance ID: DTXSID70455482
• Wikidata: Q82277522
• Mol file: 744195-35-5.mol

Synonyms:744195-35-5;2-(1-benzyl-4-piperidyl)propanedinitrile;DTXSID70455482;(1-Benzylpiperidin-4-yl)propanedinitrile;A838119;2-[1-(phenylmethyl)-4-piperidinyl]propanedinitrile

Chemical Property of (1-Benzylpiperidin-4-yl)propanedinitrile

Chemical Property:

• Boiling Point: 403.3±20.0 °C(Predicted)
• Density: 1.114±0.06 g/cm3(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 239.142247555
• Heavy Atom Count: 18
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1C(C#N)C#N)CC2=CC=CC=C2

Technology Process of (1-Benzylpiperidin-4-yl)propanedinitrile

There total 2 articles about (1-Benzylpiperidin-4-yl)propanedinitrile 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:

2-(1-benzylpiperidin-4-ylidene)malononitrile (616897-44-0) → N-benzyl-piperidin-4-yl-malonitrile (744195-35-5)

Guidance literature:

With sodium tetrahydroborate; In dichloromethane; acetic acid; at 0 - 20 ℃;

DOI:10.1081/SCC-120021515

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → N-benzyl-piperidin-4-yl-malonitrile (744195-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / CH₂Cl₂ / 24 h / 20 °C

2: NaBH₄ / CH₂Cl₂; acetic acid / 0 - 20 °C

With sodium tetrahydroborate; In dichloromethane; acetic acid;

DOI:10.1081/SCC-120021515

Reference yield:

N-benzyl-piperidin-4-yl-malonitrile (744195-35-5) → α-cyano-(N-benzyl-piperidin-4-yl)-acetamide (146495-13-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / CH₂Cl₂ / 5 h / Heating

2: HCl gas

With hydrogenchloride; sodium tetrahydroborate; In dichloromethane;

DOI:10.1081/SCC-120021515

upstream raw materials:

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

1-phenylmethyl-4-piperidone

Downstream raw materials:

α-cyano-(N-benzyl-piperidin-4-yl)-acetamide

N-benzyl-4-(2-hydroxyethyl)piperidine

2-(1-benzylpiperidin-4-yl)acetic acid hydrochloride

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