Piperidine, 1-(4-(1,1-dimethylethyl)benzoyl)-

Base Information

• Chemical Name: Piperidine, 1-(4-(1,1-dimethylethyl)benzoyl)-
• CAS No.: 59746-67-7
• Molecular Formula: C16H23NO
• Molecular Weight: 245.365
• DSSTox Substance ID: DTXSID70208455
• Nikkaji Number: J3.643.911D
• Wikidata: Q83082579
• Mol file: 59746-67-7.mol

Synonyms:Piperidine, 1-(4-(1,1-dimethylethyl)benzoyl)-;59746-67-7;(4-tert-butylphenyl)(piperidin-1-yl)methanone;SCHEMBL271078;DTXSID70208455;STK178812;AKOS003858463

Chemical Property of Piperidine, 1-(4-(1,1-dimethylethyl)benzoyl)-

Chemical Property:

• Vapor Pressure: 8.82E-06mmHg at 25°C
• Boiling Point: 373.7°C at 760 mmHg
• Flash Point: 164.4°C
• Density: 1.017g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 245.177964357
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCC2

Technology Process of Piperidine, 1-(4-(1,1-dimethylethyl)benzoyl)-

There total 6 articles about Piperidine, 1-(4-(1,1-dimethylethyl)benzoyl)- 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) + 1-bromo-4-tert-butylbenzene (3972-65-4) + carbon monoxide (201230-82-2) → (4-(tert-butyl)phenyl)(piperidin-1-yl)methanone (59746-67-7)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; dicobalt octacarbonyl; In tert-Amyl alcohol; for 48h; under 1520.1 Torr; Irradiation;

DOI:10.1039/d0sc02178d

Reference yield: 89.0%

carbon monoxide (201230-82-2) + 1-(4-tert-butylphenyl)-3,3-(1,5-pentanediyl)triazene (1315574-15-2) → (4-(tert-butyl)phenyl)(piperidin-1-yl)methanone (59746-67-7)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); In 1,4-dioxane; at 110 ℃; for 16h; under 15001.5 Torr; Autoclave;

DOI:10.1002/ejoc.201700784

Reference yield: 69.0%

N-chloropiperidine (2156-71-0) + p-tert-butylphenylboronic acid (123324-71-0) → (4-(tert-butyl)phenyl)(piperidin-1-yl)methanone (59746-67-7)

Guidance literature:

With copper(I) oxide; carbon monoxide; sodium hydrogencarbonate; In tert-butyl methyl ether; at 50 ℃; for 16h; under 37503.8 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/ejoc.201700352

upstream raw materials:

piperidine

C₁₇H₁₇NO₃S

p-tert-butyl benzoyl chloride

4-tert-Butylbenzaldehyde