Piperidine-1-valeronitrile

Base Information

• Chemical Name: Piperidine-1-valeronitrile
• CAS No.: 4734-49-0
• Molecular Formula: C10H18N2
• Molecular Weight: 166.266
• Hs Code.: 2933399090
• European Community (EC) Number: 225-243-1
• NSC Number: 96984
• UNII: K863RVK4W7
• DSSTox Substance ID: DTXSID90197110
• Nikkaji Number: J262.419B
• Wikidata: Q83070076
• Mol file: 4734-49-0.mol

Synonyms:4734-49-0;Piperidine-1-valeronitrile;5-piperidin-1-ylpentanenitrile;Piperidinepentanenitrile;1-Piperidinepentanenitrile;5-PIPERIDIN-1-YLVALERONITRILE;5-(PIPERIDIN-1-YL)PENTANENITRILE;K863RVK4W7;EINECS 225-243-1;NSC-96984;5-piperidinovaleronitrile;NSC96984;1-Piperidinevaleronitrile;4-piperidinobutyl cyanide;UNII-K863RVK4W7;SCHEMBL151720;5-(1-piperidinyl)pentanenitrile;DTXSID90197110;MFCD00044836;NSC 96984;AKOS009057877

Chemical Property of Piperidine-1-valeronitrile

Chemical Property:

• Vapor Pressure: 0.0024mmHg at 25°C
• Boiling Point: 288°C at 760 mmHg
• Flash Point: 118°C
• PSA: 27.03000
• LogP: 2.10408
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.146998583
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Piperidinepentanenitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCCCC#N

Technology Process of Piperidine-1-valeronitrile

There total 4 articles about Piperidine-1-valeronitrile 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:

→ 5-piperidinovaleronitrile (4734-49-0)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01157a023

Reference yield:

piperidine (110-89-4) + 5-bromopentan-1-nitrile (5414-21-1) → 5-piperidinovaleronitrile (4734-49-0)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; at 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2005.12.084

Reference yield:

piperidine (110-89-4) + δ-chlorovaleronitrile (6280-87-1) → 5-piperidinovaleronitrile (4734-49-0)

Guidance literature:

With benzene;

DOI:10.1021/ja01157a023

upstream raw materials:

piperidine

δ-chlorovaleronitrile

5-bromopentan-1-nitrile

Downstream raw materials:

(4-methoxy-benzyl)-(5-piperidino-pentyl)-amine

(5-piperidino-pentyl)-veratryl-amine

(3,4-diethoxy-benzyl)-(5-piperidino-pentyl)-amine

1-phenyl-5-piperidino-pentan-1-one

Refernces

• 1、 -. "SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) BENZOHETEROARYL COMPOUNDS". . . Retrieved 2008/06/13.