Piperidine, 1-(3-phenyl-2-propynyl)-

Base Information

• Chemical Name: Piperidine, 1-(3-phenyl-2-propynyl)-
• CAS No.: 2568-57-2
• Molecular Formula: C14H17 N
• Molecular Weight: 199.296
• DSSTox Substance ID: DTXSID60180372
• Nikkaji Number: J50.677J
• Wikidata: Q83050901
• ChEMBL ID: CHEMBL1907130
• Mol file: 2568-57-2.mol

Synonyms:1-(3-phenylprop-2-yn-1-yl)piperidine;Piperidine, 1-(3-phenyl-2-propynyl)-;1-(3-Phenyl-2-propynyl)piperidine;2568-57-2;BRN 0148516;1-(3-Phenyl-prop-2-ynyl)-piperidine;5-20-02-00082 (Beilstein Handbook Reference);SCHEMBL5730065;CHEMBL1907130;1-(3-Phenylpropargyl)piperidine;DTXSID60180372;HMS1675P17;CCG-15347;STK729081;AKOS000505320;NCGC00245411-01;LS-115920;CS-0333441;EU-0000853;Z234796358;WGV

Chemical Property of Piperidine, 1-(3-phenyl-2-propynyl)-

Chemical Property:

• Vapor Pressure: 0.000848mmHg at 25°C
• Boiling Point: 304.9°Cat760mmHg
• PKA: 7.84±0.10(Predicted)
• Flash Point: 126°C
• PSA: 3.24000
• Density: 1.03g/cm³
• LogP: 2.46190
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.136099547
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC#CC2=CC=CC=C2

Technology Process of Piperidine, 1-(3-phenyl-2-propynyl)-

There total 23 articles about Piperidine, 1-(3-phenyl-2-propynyl)- 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%

piperidine (110-89-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + phenylacetylene (536-74-3) → N-(3-phenyl-2-propynyl)piperidine (2568-57-2)

Guidance literature:

With polymer-supported L-proline copper complex; In dimethyl sulfoxide; at 20 ℃; for 2h;

Reference yield: 98.0%

1-(tert-butoxymethyl)piperidine (1628470-82-5) + (phenylethynyl)dimethylaluminum (1007-47-2) → N-(3-phenyl-2-propynyl)piperidine (2568-57-2)

Guidance literature:

In toluene; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/ejoc.201402464

Reference yield: 97.0%

di(N-piperidinyl)methane (880-09-1) + phenylacetylene (536-74-3) → N-(3-phenyl-2-propynyl)piperidine (2568-57-2)

Guidance literature:

With copper(l) chloride; at 80 ℃; for 6h; Under argon;

DOI:10.1134/S1070428010010021

upstream raw materials:

piperidine

formaldehyd

phenylacetylene

1-bromo-3-phenylprop-2-yne

Downstream raw materials:

1-(3-Phenylpropyl)piperidine

(Z)-1-phenyl-3-(piperidin-1-yl)prop-2-en-1-one

1-[(2Z)-3-phenylprop-2-en-1-yl]piperidine

N,N-dimethyl-3-phenylthiopropionamide

Refernces

• 1、 Mariconda, Annaluisa,Sirignano, Marco,Costabile, Chiara,Longo, Pasquale. "New NHC- silver and gold complexes active in A3-coupling (aldehyde-alkyne-amine) reaction". . . Retrieved 2020.
• 2、 Li, Qiang,Li, Xin,Yang, Jun,Song, Hai-Bin,Tang, Liang-Fu. "Synthesis and structural characterization of N-heterocyclic carbene silver complexes derived from N-ferrocenylmethyl-N′-(pyridylmethyl)imidazolium iodides". . p. 29 - 37. Retrieved 2013.
• 3、 Fan, Zhiying,Wang, Zheng,Cokoja, Mirza,Fischer, Roland A.. "Defect engineering: an effective tool for enhancing the catalytic performance of copper-MOFs for the click reaction and the A3coupling". . p. 2396 - 2402. Retrieved 2021.
• 4、 K?l?n?arslan, Rafet,Sad??, Naim. "Catalytic activity of N-heterocyclic carbene silver complexes derived from imidazole ligands". . p. 462 - 466. Retrieved 2017.
• 5、 Atli, Deniz Demir. "Synthesis, characterization and catalytic properties of cationic N-heterocyclic carbene silver complexes". . p. 577 - 584. Retrieved 2021/07/26.