(E)-8-(2,3,4-Trimethoxystyryl)theophylline

Base Information

Chemical Name:(E)-8-(2,3,4-Trimethoxystyryl)theophylline
CAS No.:147700-32-1
Molecular Formula:C18H20 N4 O5
Molecular Weight:372.3752
Hs Code.:
Nikkaji Number:J551.309J
Wikidata:Q76389246
ChEMBL ID:CHEMBL280584
Mol file:147700-32-1.mol

Synonyms:(E)-8-(2,3,4-Trimethoxystyryl)theophylline;CHEMBL280584;147700-32-1;(E)-1,3-Dimethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(2,3,4-trimethoxyphenyl)ethenyl)-, (E)-;SCHEMBL7304947;GAQQSHXBDRDGGZ-VQHVLOKHSA-N;BDBM50230717;LS-126956;1,3-Dimethyl-8-(2,3,4-trimethoxystyryl)xanthine

Suppliers and Price of (E)-8-(2,3,4-Trimethoxystyryl)theophylline

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 (E)-8-(2,3,4-Trimethoxystyryl)theophylline

Chemical Property:

Vapor Pressure:3.65E-15mmHg at 25°C
Boiling Point:617.2°Cat760mmHg
Flash Point:327.1°C
Density:1.338g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:372.14336975
Heavy Atom Count:27
Complexity:600

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=C(C(=C(C=C3)OC)OC)OC
Isomeric SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=C(C(=C(C=C3)OC)OC)OC

Technology Process of (E)-8-(2,3,4-Trimethoxystyryl)theophylline

There total 4 articles about (E)-8-(2,3,4-Trimethoxystyryl)theophylline 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: 35.0%

: 147700-32-1
(E)-8-(2,3,4-Trimethoxystyryl)theophylline

Guidance literature:

Reference yield:

: 1028268-39-4
(E)-N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-3-(2,3,4-trimethoxy-phenyl)-acrylamide

: 147700-32-1
(E)-8-(2,3,4-Trimethoxystyryl)theophylline

Guidance literature:: With sodium hydroxide; In methanol; at 60 ℃; for 2h; Yield given;
DOI:10.1021/jm00062a005

Reference yield:

: 5440-00-6
4,5-Diamino-1,3-dimethyluracil

: 147700-32-1
(E)-8-(2,3,4-Trimethoxystyryl)theophylline

Guidance literature:: Multi-step reaction with 2 steps

1: 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride, 4-(N,N-dimethylamino)pyridine, imidazole / dimethylformamide / 3 h / Ambient temperature

2: 4 N aq. NaOH / methanol / 2 h / 60 °C

With 1H-imidazole; dmap; sodium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00062a005