3-[(1-Benzyl-4-piperidyl)oxy]propanenitrile

Base Information

• Chemical Name: 3-[(1-Benzyl-4-piperidyl)oxy]propanenitrile
• CAS No.: 175203-64-2
• Molecular Formula: C15H20 N2 O
• Molecular Weight: 244.337
• Hs Code.: 2933399090
• European Community (EC) Number: 862-656-1
• DSSTox Substance ID: DTXSID60383245
• Nikkaji Number: J2.547.777D
• Wikidata: Q82174898
• Mol file: 175203-64-2.mol

Synonyms:175203-64-2;3-[(1-benzyl-4-piperidyl)oxy]propanenitrile;3-((1-Benzylpiperidin-4-yl)oxy)propanenitrile;3-[(1-benzylpiperidin-4-yl)oxy]propanenitrile;3-(1-benzylpiperidin-4-yl)oxypropanenitrile;SCHEMBL5394419;DTXSID60383245;XTUAIKRVIJDPCZ-UHFFFAOYSA-N;MFCD00203875;1-Benzyl-4-(2-cyanoethoxy)piperidine;AKOS022181793;3-(1-benylpiperidin-4-yloxy)-propionitrile;2-[(1-benzyl-4-piperidyl)oxy]ethyl cyanide;3-(1-benzylpiperidin-4-yloxy)-propionitrile;3-(1-benzylpiperidin-4-yloxy)propanenitrile;CS-0265351;FT-0718474;EN300-97971;W-206203;Z1318166605

Chemical Property of 3-[(1-Benzyl-4-piperidyl)oxy]propanenitrile

Chemical Property:

• Vapor Pressure: 2.14E-06mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 393.4°Cat760mmHg
• PKA: 7.79±0.10(Predicted)
• Flash Point: 191.7°C
• PSA: 36.26000
• Density: 1.08g/cm³
• LogP: 2.51918
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 244.157563266
• Heavy Atom Count: 18
• Complexity: 270

Purity/Quality:

98%min ^*data from raw suppliers

3-[(1-BENZYL-4-PIPERIDYL)OXY]PROPANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1OCCC#N)CC2=CC=CC=C2

Technology Process of 3-[(1-Benzyl-4-piperidyl)oxy]propanenitrile

There total 2 articles about 3-[(1-Benzyl-4-piperidyl)oxy]propanenitrile 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: 91.0%

3-[(1-benzoylpiperidin-4-yl)oxy]propanenitrile (1005340-88-4) → 3-(1-benzylpiperidin-4-yloxy)-propionitrile (175203-64-2)

Guidance literature:

3-[(1-benzoylpiperidin-4-yl)oxy]propanenitrile; With trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 0.0833333h;

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; In dichloromethane; at 20 ℃; for 1h; Further stages.;

DOI:10.1021/ja077463q

Reference yield: 60.6%

1-benzyl-4-hydroxypiperidine (4727-72-4) + acrylonitrile (107-13-1,25014-41-9) → 3-(1-benzylpiperidin-4-yloxy)-propionitrile (175203-64-2)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; In acetonitrile; at 80 ℃; for 25h;

DOI:10.1002/ardp.200800070

Reference yield: 60.0%

3-(1-benzylpiperidin-4-yloxy)-propionitrile (175203-64-2) → 3-(1-benzylpiperidine-4-yloxy)-propylamine (200868-41-3)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1002/ardp.200800070

upstream raw materials:

1-benzyl-4-hydroxypiperidine

acrylonitrile

3-[(1-benzoylpiperidin-4-yl)oxy]propanenitrile

Downstream raw materials:

3-(1-benzylpiperidine-4-yloxy)-propylamine

methyl 3-[(1-benzyl-4-piperidyl)oxy]propanoate

Refernces

• 1、 Barbe, Guillaume,Charette, Andre B.. "Highly chemoselective metal-free reduction of tertiary amides". . p. 18 - 19. Retrieved 2008/09/20.