2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol

Base Information

Chemical Name:2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol
CAS No.:111394-44-6
Molecular Formula:C17H16 O5
Molecular Weight:300.311
Hs Code.:
NSC Number:613728
Nikkaji Number:J1.322.832I
ChEMBL ID:CHEMBL1642222
Mol file:111394-44-6.mol

Synonyms:3,4-(methylenedioxy)-5-methoxy-3'-hydroxy-4'-methoxystilbene;combretastatin A-2

Suppliers and Price of 2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol

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
(Z)-2-METHOXY-5-(2-(7-METHOXY-BENZO[D][1,3]DIOXOL-5-YL)VINYL)PHENOL 95.00%
5MG
$ 502.89

Total 6 raw suppliers

Chemical Property of 2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol

Chemical Property:

Vapor Pressure:5.51E-10mmHg at 25°C
Boiling Point:483.8 °C at 760 mmHg
PKA:9.66±0.10(Predicted)
Flash Point:246.4 °C
PSA：57.15000
Density:1.304 g/cm³
LogP:3.30850
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:300.09977361
Heavy Atom Count:22
Complexity:385

Purity/Quality:

97% ^*data from raw suppliers

(Z)-2-METHOXY-5-(2-(7-METHOXY-BENZO[D][1,3]DIOXOL-5-YL)VINYL)PHENOL 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=CC3=C(C(=C2)OC)OCO3)O
Isomeric SMILES:COC1=C(C=C(C=C1)/C=C/C2=CC3=C(C(=C2)OC)OCO3)O

Technology Process of 2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol

There total 14 articles about 2-methoxy-5-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol 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: 92.0%

: 512184-74-6
3,4'-dimethoxy-4,5-methylenedioxy-3'-O-t-butyldimethylsilylstilbene

: 111394-44-6
3'-hydroxy-4,5-methylenedioxy-3,4'-dimethoxy-(Z)-stilbene

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h;
DOI:10.1021/np1004278

Reference yield:

: 5780-07-4
3-methoxy-4,5-methylenedioxybenzaldehyde

: 111394-44-6
3'-hydroxy-4,5-methylenedioxy-3,4'-dimethoxy-(Z)-stilbene

Guidance literature:: Multi-step reaction with 2 steps

1: 1) n-BuLi / 1) THF, -50 deg C to RT, 20 min, 2) THF, RT, 30 min

2: dioxane; H₂O / 5 h / Irradiation; equilibrium

With n-butyllithium; In 1,4-dioxane; water;
DOI:10.1139/v87-399

Reference yield:

: 4383-06-6
3-hydroxy-4-methoxybenzyl alcohol

: 111394-44-6
3'-hydroxy-4,5-methylenedioxy-3,4'-dimethoxy-(Z)-stilbene

Guidance literature:: Multi-step reaction with 3 steps

1: PBr₃ / tetrahydrofuran; benzene / 2 h / Ambient temperature

2: 52.4 percent / benzene / 1) 10 min, RT, 2) reflux, 2 h

3: 1) n-BuLi / 1) THF, -50 deg C to RT, 20 min, 2) THF, RT, 30 min

With n-butyllithium; phosphorus tribromide; In tetrahydrofuran; benzene;
DOI:10.1139/v87-399