1-Piperidinocyclohexanecarbonitrile

Base Information

• Chemical Name: 1-Piperidinocyclohexanecarbonitrile
• CAS No.: 3867-15-0
• Molecular Formula: C12H20 N2
• Molecular Weight: 192.304
• Hs Code.: 2933399090
• NSC Number: 97072
• UNII: 03ZI7ZZW5Q
• DSSTox Substance ID: DTXSID1046184
• Nikkaji Number: J72.701F
• Wikidata: Q27092788
• Metabolomics Workbench ID: 146187
• Mol file: 3867-15-0.mol

Synonyms:1-piperidinocyclohexanecarbonitrile

Chemical Property of 1-Piperidinocyclohexanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.000637mmHg at 25°C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 309.5°Cat760mmHg
• Flash Point: 126.9°C
• PSA: 27.03000
• Density: 1.01g/cm³
• LogP: 2.63668
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.162648646
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

1-Piperidin-1-ylcyclohexanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C#N)N2CCCCC2
• Recent ClinicalTrials: Factor In the Initial Resuscitation of Severe Trauma 2 Patients
• Description: 1-Piperidinocyclohexanecarbonitrile (Item No. 20367) is an analytical reference standard categorized as a precursor in the synthesis of PCP (Item Nos. ISO60194 | 14276). 1-Piperidinocyclohexanecarbonitrile has been found as a contaminant in PCP preparations. 1-Piperidinocyclohexanecarbonitrile is regulated as a Schedule II compound in the United States. This product is intended for research and forensic applications.

Technology Process of 1-Piperidinocyclohexanecarbonitrile

There total 11 articles about 1-Piperidinocyclohexanecarbonitrile 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: 95.0%

trimethylsilyl cyanide (7677-24-9) + C6H10C5H10N(1+)*ClO4(1-)=(C6H10C5H10N)(ClO4) (18304-40-0) → 1-piperidinocyclohexylcarbonitrile (3867-15-0)

Guidance literature:

With Co(II) complex supported on mesoporous SBA-15; at 40 ℃; for 3h;

DOI:10.1039/c0gc00047g

Reference yield: 88.0%

piperidine (110-89-4) + 1-amino-1-cyanocyclohexane (5496-10-6) → 1-piperidinocyclohexylcarbonitrile (3867-15-0)

Guidance literature:

In neat (no solvent); at 60 - 70 ℃;

DOI:10.1134/S1070428014010047

Reference yield: 88.0%

→ 1-piperidinocyclohexylcarbonitrile (3867-15-0)

Guidance literature:

upstream raw materials:

potassium cyanide

piperidine hydrochloride

cyclohexanone

piperidine

Downstream raw materials:

C-(1-piperidin-1-yl-cyclohexyl)methylamine

bis-(1-piperidino-cyclohexylmethyl)-amine

1-piperidin-1-yl-cyclohexanecarboxylic acid amide

1-[1-(2-benzo[b]thienyl)cyclohexyl]piperidine