2-[(4-Methoxyphenyl)methyl]-1,3,3-trimethylpiperidin-4-one

Base Information

Chemical Name:2-[(4-Methoxyphenyl)methyl]-1,3,3-trimethylpiperidin-4-one
CAS No.:88532-25-6
Molecular Formula:C16H23NO2
Molecular Weight:261.364
Hs Code.:
DSSTox Substance ID:DTXSID70587373
Mol file:88532-25-6.mol

Synonyms:88532-25-6;2-[(4-Methoxyphenyl)methyl]-1,3,3-trimethylpiperidin-4-one;2-(4-Methoxybenzyl)-1,3,3-trimethylpiperidin-4-one;2-(4-methoxybenzyl)-1,3,3-trimethyl-4-piperidone;SCHEMBL11086808;DTXSID70587373;FXFCQRVNVWSWKQ-UHFFFAOYSA-N;DB-329350;2-(p-methoxybenzyl)-1,3,3-trimethyl-4-piperidone

Suppliers and Price of 2-[(4-Methoxyphenyl)methyl]-1,3,3-trimethylpiperidin-4-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 2-[(4-Methoxyphenyl)methyl]-1,3,3-trimethylpiperidin-4-one

Chemical Property:

Boiling Point:374.4±22.0 °C(Predicted)
PKA:7.84±0.60(Predicted)
PSA：29.54000
Density:1.026
LogP:2.47500
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:261.172878976
Heavy Atom Count:19
Complexity:319

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(N(CCC1=O)C)CC2=CC=C(C=C2)OC)C

Technology Process of 2-[(4-Methoxyphenyl)methyl]-1,3,3-trimethylpiperidin-4-one

There total 4 articles about 2-[(4-Methoxyphenyl)methyl]-1,3,3-trimethylpiperidin-4-one 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: 66.0%

: 945843-68-5
2-(4-methoxybenzyl)-1,3,3-trimethyl-2,3-dihydropyridin-4(1H)-one

: C₁₆H₂₅NO₂

: 88532-25-6
2-(4-methoxybenzyl)-1,3,3-trimethyl-4-piperidone

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 0.5h; cooling;
DOI:10.1055/s-2007-966026

Reference yield:

: 945843-66-3
2-(4-methoxybenzyl)-1-methyl-2,3-dihydropyridin-4(1H)-one

: 88532-25-6
2-(4-methoxybenzyl)-1,3,3-trimethyl-4-piperidone

Guidance literature:: Multi-step reaction with 3 steps

1.1: 79 percent / sodium hydride / tetrahydrofuran / 0.75 h / cooling

2.1: BuLi; i-Pr₂NH / hexane; tetrahydrofuran / 1 h / -78 °C

2.2: 68 percent / hexane; tetrahydrofuran / 2 h / -78 - 20 °C

3.1: 66 percent / lithium aluminum hydride / tetrahydrofuran / 0.5 h / cooling

With lithium aluminium tetrahydride; n-butyllithium; sodium hydride; diisopropylamine; In tetrahydrofuran; hexane;
DOI:10.1055/s-2007-966026

Reference yield:

: 2-(4-methoxybenzyl)-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one

: 88532-25-6
2-(4-methoxybenzyl)-1,3,3-trimethyl-4-piperidone

Guidance literature:: Multi-step reaction with 2 steps

1.1: BuLi; i-Pr₂NH / hexane; tetrahydrofuran / 1 h / -78 °C

1.2: 68 percent / hexane; tetrahydrofuran / 2 h / -78 - 20 °C

2.1: 66 percent / lithium aluminum hydride / tetrahydrofuran / 0.5 h / cooling

With lithium aluminium tetrahydride; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane;
DOI:10.1055/s-2007-966026