5-[2-(3,4-Dimethoxyphenyl)ethenyl]benzene-1,3-diol

Base Information

Chemical Name:5-[2-(3,4-Dimethoxyphenyl)ethenyl]benzene-1,3-diol
CAS No.:629643-27-2
Molecular Formula:C₁₆H₁₆O₄
Molecular Weight:272.301
Hs Code.:
DSSTox Substance ID:DTXSID00694084
Wikidata:Q110179238
Mol file:629643-27-2.mol

Synonyms:5-[2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol;SCHEMBL19433130;DTXSID00694084;FT-0652999;A834123

Suppliers and Price of 5-[2-(3,4-Dimethoxyphenyl)ethenyl]benzene-1,3-diol

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

American Custom Chemicals Corporation
5-[(1E)-2-(3,4-DIMETHOXYPHENYL)ETHENYL]-1,3-BENZENEDIOL 95.00%
5G
$ 909.56

Total 11 raw suppliers

Chemical Property of 5-[2-(3,4-Dimethoxyphenyl)ethenyl]benzene-1,3-diol

Chemical Property:

Melting Point:128-130 °C
Boiling Point:467.3±35.0 °C(Predicted)
PKA:9.16±0.10(Predicted)
PSA：58.92000
Density:1.251±0.06 g/cm3(Predicted)
LogP:3.28540
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:272.10485899
Heavy Atom Count:20
Complexity:308

Purity/Quality:

97% ^*data from raw suppliers

5-[(1E)-2-(3,4-DIMETHOXYPHENYL)ETHENYL]-1,3-BENZENEDIOL 95.00% ^*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=CC2=CC(=CC(=C2)O)O)OC

Technology Process of 5-[2-(3,4-Dimethoxyphenyl)ethenyl]benzene-1,3-diol

There total 5 articles about 5-[2-(3,4-Dimethoxyphenyl)ethenyl]benzene-1,3-diol 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: 8.1%

: 10083-24-6,106325-86-4
trans-piceatannol

: 74-88-4
methyl iodide

: 32507-66-7
isorhapontigenin

: 629643-27-2
(E)-5-[2-(3,4-dimethoxyphenyl)vinyl]benzene-1,3-diol

: 500-65-2,65877-43-2,94425-95-3
rhapontigenin

: 3,4,5′-trihydroxy-3′-methoxy-trans-stilbene

Guidance literature:: With sodium acetate; In N,N-dimethyl-formamide; at 100 ℃; for 0.0833333h;

Reference yield:

: C₂₀H₂₀O₆

: 629643-27-2
(E)-5-[2-(3,4-dimethoxyphenyl)vinyl]benzene-1,3-diol

Guidance literature:: With sodium hydroxide; In dichloromethane; at 20 ℃; for 2.5h; Inert atmosphere; Cooling with ice;
DOI:10.1016/j.bmcl.2017.05.025

Reference yield:

: 39192-49-9
3,5-diacetoxybenzoyl chloride

: 629643-27-2
(E)-5-[2-(3,4-dimethoxyphenyl)vinyl]benzene-1,3-diol

Guidance literature:: Multi-step reaction with 2 steps

1: palladium diacetate; 4-methyl-morpholine / 5,5-dimethyl-1,3-cyclohexadiene / 5 h / 100 °C / Inert atmosphere

2: sodium hydroxide / dichloromethane / 2.5 h / 20 °C / Inert atmosphere; Cooling with ice

With 4-methyl-morpholine; palladium diacetate; sodium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; dichloromethane; 1: |Heck Reaction;
DOI:10.1016/j.bmcl.2017.05.025