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

Base Information

Chemical Name:1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
CAS No.:82017-78-5
Molecular Formula:C₁₇H₂₁NO₅
Molecular Weight:319.357
Hs Code.:
Nikkaji Number:J183.685D
ChEMBL ID:CHEMBL1322597

Synonyms:82017-78-5;1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one;CHEMBL1322597;SCHEMBL13569216;CHEBI:182908;1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one;2-Piperidinone, 1-((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-;NCGC00017252-02;NCGC00142525-01;Q63408711;LQ4

Suppliers and Price of 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one

Chemical Property:

Vapor Pressure:3.47E-10mmHg at 25°C
Boiling Point:501.5°C at 760 mmHg
Flash Point:257.1°C
Density:1.199g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:319.14197277
Heavy Atom Count:23
Complexity:436

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCCC2=O
Isomeric SMILES:COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCC2=O

Technology Process of 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one

There total 8 articles about 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]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: 95.0%

: 675-20-7
piperidin-2-one

: 10263-19-1,89652-61-9
(E)-3-(3,4,5-trimethoxyphenyl)acryloyl chloride

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

Guidance literature:: piperidin-2-one; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.25h; Schlenk technique; Inert atmosphere;

(E)-3-(3,4,5-trimethoxyphenyl)acryloyl chloride; In tetrahydrofuran; for 0.166667h; Inert atmosphere; Schlenk technique;

Reference yield: 56.0%

: 675-20-7
piperidin-2-one

: 10263-19-1
3',4',5'-trimethoxycinnamoyl chloride

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

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 24h;
DOI:10.1016/j.bioorg.2021.105465

Reference yield:

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

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

Guidance literature:: Multi-step reaction with 4 steps

1: benzene / 3 h / 20 °C

2: water; lithium hydroxide / tetrahydrofuran / 12 h / 20 °C

3: triethylamine / tetrahydrofuran / 0.75 h / -20 °C

4: triethylamine / dichloromethane / 2 h / 20 °C

With water; triethylamine; lithium hydroxide; In tetrahydrofuran; dichloromethane; benzene; 1: |Wittig Olefination;
DOI:10.1016/j.ejmech.2012.09.014