Piperidine, 1-(4-methoxybenzoyl)-

Base Information

• Chemical Name: Piperidine, 1-(4-methoxybenzoyl)-
• CAS No.: 57700-94-4
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.283
• NSC Number: 400346
• DSSTox Substance ID: DTXSID10206415
• Nikkaji Number: J419.217F
• Wikidata: Q83080246
• Mol file: 57700-94-4.mol

Synonyms:Piperidine, 1-(4-methoxybenzoyl)-;57700-94-4;(4-methoxyphenyl)-piperidin-1-ylmethanone;1-(4-methoxybenzoyl)piperidine;NSC400346;AI3-17017;SCHEMBL2535536;DTXSID10206415;STK412986;AKOS003240825;NSC 400346;NSC-400346;(4-METHOXYPHENYL)(PIPERIDINO)METHANONE;4-Bromo-1-[isocyano(toluene-4-sulfonyl)methyl]benzene

Chemical Property of Piperidine, 1-(4-methoxybenzoyl)-

Chemical Property:

• Vapor Pressure: 8.81E-06mmHg at 25°C
• Boiling Point: 373.7°Cat760mmHg
• Flash Point: 179.8°C
• PSA: 29.54000
• Density: 1.104g/cm³
• LogP: 2.25920
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

98%min ^*data from raw suppliers

(4-METHOXY-PHENYL)-PIPERIDIN-1-YL-METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)N2CCCCC2

Technology Process of Piperidine, 1-(4-methoxybenzoyl)-

There total 60 articles about Piperidine, 1-(4-methoxybenzoyl)- 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-methoxy-benzene (104-92-7) + carbon monoxide (201230-82-2) → N-(p-methoxybenzoyl)piperidine (57700-94-4)

Guidance literature:

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

DOI:10.1039/d0sc02178d

Reference yield: 97.0%

piperidine (110-89-4) + 4-methoxy-benzoyl chloride (100-07-2) → N-(p-methoxybenzoyl)piperidine (57700-94-4)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/c8cc01863d

Reference yield: 97.0%

piperidine (110-89-4) + quinolin-8-yl-4-methoxybenzoate (28507-33-7) → N-(p-methoxybenzoyl)piperidine (57700-94-4)

Guidance literature:

In toluene; at 110 ℃; for 17h; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0040-1707187

upstream raw materials:

piperidine

carbon monoxide

4-methoxyphenyl triflate

benzoic p-methoxybenzoic anhydride

Downstream raw materials:

1-(4-methoxy-benzyl)-piperidine

4-Methoxybenzyl alcohol

2-(4-methoxyphenyl)-2-(piperidin-1-yl)acetonitrile

O-cholesteryl p-methoxythiobenzoate

Refernces

• 1、 Singh, Ashmita,Narula, Anudeep Kumar. "Copper and N-Heterocyclic Carbene-Catalyzed Oxidative Amidation of Aldehydes with Amines". supporting information. p. 718 - 722. Retrieved 2021/02/26.
• 2、 Pandey, Pragati,Bera, Jitendra K.. "Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex". supporting information. p. 9204 - 9207. Retrieved 2021/09/20.