3'-Demethoxypiplartine

Base Information

Chemical Name:3'-Demethoxypiplartine
CAS No.:130263-10-4
Molecular Formula:C16H17 N O4
Molecular Weight:287.315
Hs Code.:
ChEMBL ID:CHEMBL4066386
Metabolomics Workbench ID:70957
Nikkaji Number:J865.603G,J2.773.240B
Mol file:130263-10-4.mol

Synonyms:3'-Demethoxypiplartine;Demethoxypiplartine;C10444;ZINC14658397;CHEMBL4066386;SCHEMBL17472036;HY-N1817;AKOS040761086;FS-8694;NP-003715;CS-0017671;(E)-1-(3-(3,4-Dimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one;1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

Suppliers and Price of 3'-Demethoxypiplartine

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

Crysdot
3'-Demethoxypiplartine 95+%
5mg
$ 730.00

Arctom
3'-Demethoxypiplartine ≥98%
5mg
$ 463.00

Total 9 raw suppliers

Chemical Property of 3'-Demethoxypiplartine

Chemical Property:

Vapor Pressure:2.97E-09mmHg at 25°C
Melting Point:116-117℃ (methanol )
Boiling Point:476.8°Cat760mmHg
Flash Point:242.1°C
PSA：55.84000
Density:1.194g/cm³
LogP:1.97000
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:287.11575802
Heavy Atom Count:21
Complexity:444

Purity/Quality:

95% ^*data from raw suppliers

3'-Demethoxypiplartine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C=CC(=O)N2CCC=CC2=O)OC
Isomeric SMILES:COC1=C(C=C(C=C1)/C=C/C(=O)N2CCC=CC2=O)OC

Technology Process of 3'-Demethoxypiplartine

There total 4 articles about 3'-Demethoxypiplartine 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: 58.0%

: 130263-10-4
(E)-1-(3-(3,4-dimethoxylphenyl)prop-2-enoyl)-5,6-dihydropyridin-2(1H)-one

Guidance literature:: With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

In tetrahydrofuran; for 1h;

Reference yield:

: 6052-73-9
5,6-dihydro-2(1H)-pyridinone

: C₁₆H₂₀O₅

: 130263-10-4
(E)-1-(3-(3,4-dimethoxylphenyl)prop-2-enoyl)-5,6-dihydropyridin-2(1H)-one

Guidance literature:: 5,6-dihydro-2(1H)-pyridinone; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere;

C₁₆H₂₀O₅; In tetrahydrofuran; for 1h; Inert atmosphere;
DOI:10.1016/j.ejmech.2016.09.048

Reference yield:

: 14737-89-4
3,4-dimethoxy-trans-cinnamic acid

: 130263-10-4
(E)-1-(3-(3,4-dimethoxylphenyl)prop-2-enoyl)-5,6-dihydropyridin-2(1H)-one

Guidance literature:: Multi-step reaction with 2 steps

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

2.1: n-butyllithium / tetrahydrofuran / 0.75 h / -78 °C / Inert atmosphere

2.2: 1 h / Inert atmosphere

With n-butyllithium; triethylamine; In tetrahydrofuran;
DOI:10.1016/j.ejmech.2016.09.048