(E)-8-(2,3-Dimethoxystyryl)caffeine

Base Information

Chemical Name:(E)-8-(2,3-Dimethoxystyryl)caffeine
CAS No.:147700-17-2
Molecular Formula:C₁₈H₂₀N₄O₄
Molecular Weight:356.381
Hs Code.:
Nikkaji Number:J551.294H
Wikidata:Q76389242
ChEMBL ID:CHEMBL286285
Mol file:147700-17-2.mol

Synonyms:(E)-8-(2,3-Dimethoxystyryl)caffeine;CHEMBL286285;147700-17-2;(E)-8-(2-(2,3-Dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,3-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-, (E)-;SCHEMBL7306109;SCHEMBL7306111;BDBM50047158;LS-126828;1,3,7-Trimethyl-8-(2,3-dimethoxystyryl)xanthine;8-[2-(2,3-Dimethoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione

Suppliers and Price of (E)-8-(2,3-Dimethoxystyryl)caffeine

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

Total 0 raw suppliers

Chemical Property of (E)-8-(2,3-Dimethoxystyryl)caffeine

Chemical Property:

Vapor Pressure:3.49E-13mmHg at 25°C
Boiling Point:574.1°Cat760mmHg
Flash Point:301°C
Density:1.28g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:356.14845513
Heavy Atom Count:26
Complexity:584

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=C(C(=CC=C3)OC)OC
Isomeric SMILES:CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=C(C(=CC=C3)OC)OC

Technology Process of (E)-8-(2,3-Dimethoxystyryl)caffeine

There total 5 articles about (E)-8-(2,3-Dimethoxystyryl)caffeine 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: 50.0%

: 147700-17-2
1,3,7-Trimethyl-8-(2,3-dimethoxystyryl)xanthine

Guidance literature:

Reference yield: 49.0%

: 147700-16-1
1,3-Dimethyl-8-(2,3-dimethoxystyryl)xanthine

: 74-88-4
methyl iodide

: 147700-17-2
1,3,7-Trimethyl-8-(2,3-dimethoxystyryl)xanthine

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 0.5h;
DOI:10.1021/jm00062a005

Reference yield:

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

: 147700-17-2
1,3,7-Trimethyl-8-(2,3-dimethoxystyryl)xanthine

Guidance literature:: Multi-step reaction with 3 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

3: 49 percent / K₂CO₃ / dimethylformamide / 0.5 h / 60 °C

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