1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one

Base Information

Chemical Name:1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one
CAS No.:2466-36-6
Molecular Formula:C17H23NO5
Molecular Weight:321.373
Hs Code.:2933790090
DSSTox Substance ID:DTXSID90702465
Nikkaji Number:J183.680C
Wikidata:Q63398461
ChEMBL ID:CHEMBL2260446
Mol file:2466-36-6.mol

Synonyms:2466-36-6;Tetrahydropiperlongumine;TETRAHYDROPIPLARTINE;CHEMBL2260446;SCHEMBL15422054;DTXSID90702465;Q63398461;1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one;N-(3-(3,4,5-TRIMETHOXYPHENYL)PROPIONYL)PIPERIDIN-2-ONE

Suppliers and Price of 1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-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 4 raw suppliers

Chemical Property of 1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one

Chemical Property:

Melting Point:83-84 °C
Boiling Point:484.0±45.0 °C(Predicted)
PKA:-1.41±0.20(Predicted)
PSA：65.07000
Density:1.170±0.06 g/cm3(Predicted)
LogP:2.12200
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:321.15762283
Heavy Atom Count:23
Complexity:400

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCCCC2=O

Technology Process of 1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-one

There total 5 articles about 1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]piperidin-2-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: 93.5%

: 82017-78-5
1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one

: 2466-36-6
1-(3-(3,4,5-trimethoxyphenyl)propanoyl)piperidin-2-one

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 24h;
DOI:10.1016/j.ejmech.2016.11.034

Reference yield:

: 20069-09-4
piperlongumine

: 2466-36-6
1-(3-(3,4,5-trimethoxyphenyl)propanoyl)piperidin-2-one

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1016/S0031-9422(00)80674-3

Reference yield:

: 20329-98-0,20329-99-1,90-50-6
(E)-3,4,5-trimethoxy-cinnamic acid

: 2466-36-6
1-(3-(3,4,5-trimethoxyphenyl)propanoyl)piperidin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 5 h / 20 °C

2: triethylamine / dichloromethane / 20 °C

3: hydrogen; palladium 10% on activated carbon / 12 h / 20 °C

With oxalyl dichloride; palladium 10% on activated carbon; hydrogen; triethylamine; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/acs.jmedchem.5b00410