1-Piperidinebutyronitrile

Base Information

• Chemical Name: 1-Piperidinebutyronitrile
• CAS No.: 4672-18-8
• Molecular Formula: C9H16N2
• Molecular Weight: 152.239
• Hs Code.: 2933399090
• European Community (EC) Number: 225-119-7
• NSC Number: 72650
• DSSTox Substance ID: DTXSID70196929
• Nikkaji Number: J50.649D
• Wikidata: Q83069899
• Mol file: 4672-18-8.mol

Synonyms:1-Piperidinebutanenitrile;1-Piperidinebutyronitrile;4672-18-8;4-Piperidinobutyronitrile;4-(piperidin-1-yl)butanenitrile;4-(1-Piperidine)butyronitrile;gamma-Piperidinobutyronitrile;EINECS 225-119-7;NSC 72650;BRN 0110495;AI3-33247;4-piperidin-1-ylbutanenitrile;NSC72650;piperidinebutanenitrile;SCHEMBL150332;.gamma.-Piperidinobutyronitrile;4-piperidin-1-yl-butanenitrile;4-(piperidin-1-yl)butyronitrile;DTXSID70196929;BBL027893;NSC-72650;STK950853;AKOS000181672;SB41874;NCGC00338279-01;LS-114442;CS-0327230;FT-0619424;AB01330640-02

Chemical Property of 1-Piperidinebutyronitrile

Chemical Property:

• Vapor Pressure: 0.00752mmHg at 25°C
• Boiling Point: 268.8°C at 760 mmHg
• Flash Point: 109.6°C
• PSA: 27.03000
• Density: 0.942g/cm³
• LogP: 1.71398
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.131348519
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98%min ^*data from raw suppliers

1-Piperidinebutanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(CC1)CCCC#N

Technology Process of 1-Piperidinebutyronitrile

There total 5 articles about 1-Piperidinebutyronitrile 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: 99.0%

morpholine (110-91-8,99108-56-2) + cyano acrylate (1027379-53-8) → 4-(piperidin-1-yl)butyronitrile (4672-18-8)

Guidance literature:

With aluminium incorporated mesoporous aluminosilicate nano-cage material; In neat (no solvent); at 20 ℃; for 0.333333h;

DOI:10.1016/j.molcata.2014.06.031

Reference yield: 98.0%

piperidine (110-89-4) + 4-bromobutanenitrile (5332-06-9) → 4-(piperidin-1-yl)butyronitrile (4672-18-8)

Guidance literature:

In toluene; at 55 - 80 ℃;

Reference yield:

piperidine (110-89-4) + 4-Chlorobutyronitrile (628-20-6) → 4-(piperidin-1-yl)butyronitrile (4672-18-8)

Guidance literature:

With potassium carbonate; sodium iodide; In acetonitrile; at 20 ℃; for 20h;

DOI:10.1021/acs.jmedchem.6b00976

upstream raw materials:

piperidine

3-cyanopropanoyl chloride

4-bromobutanenitrile

morpholine

Downstream raw materials:

4-piperidin-1-ylbutanoic acid

Refernces

• 1、 Kalita, Pranjal,Pegu, Choitayna Dev,Dutta, Prantu,Baruah, Pranjal K.. "Room temperature solvent free aza-Michael reactions over nano-cage mesoporous materials". . p. 145 - 150. Retrieved 2014/08/18.
• 2、 -. "ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS". Page/Page column 26-27. . Retrieved 2010/02/17.