(E)-8-(3,4,5-Trimethoxystyryl)caffeine

Base Information

Chemical Name:(E)-8-(3,4,5-Trimethoxystyryl)caffeine
CAS No.:51389-37-8
Molecular Formula:C19H22N4O5
Molecular Weight:386.407
Hs Code.:
UNII:66RXC4F99D
Nikkaji Number:J489.942C,J551.312J
ChEMBL ID:CHEMBL27203
Mol file:51389-37-8.mol

Synonyms:(11C)KF18446;(11C)TMSX;7-methyl-(11C)-(E)-8-(3,4,5-trimethoxystyryl)-1,3,7-trimethylxanthine;KF 18446;KF-18446;KF18446

Suppliers and Price of (E)-8-(3,4,5-Trimethoxystyryl)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
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price

Total 0 raw suppliers

Chemical Property of (E)-8-(3,4,5-Trimethoxystyryl)caffeine

Chemical Property:

Vapor Pressure:1.06E-14mmHg at 25°C
Boiling Point:607.4°Cat760mmHg
Flash Point:321.1°C
Density:1.29g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:386.15901982
Heavy Atom Count:28
Complexity:615

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

Technology Process of (E)-8-(3,4,5-Trimethoxystyryl)caffeine

There total 5 articles about (E)-8-(3,4,5-Trimethoxystyryl)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: 82.0%

: 147700-34-3
1,3-dimethyl-8-(3,4,5-trimethoxy-styryl)-3,7-dihydro-purine-2,6-dione

: 74-88-4
methyl iodide

: 51389-37-8
(E)-8-(3,4,5-trimethoxystyryl)caffeine

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

: 51389-37-8
(E)-8-(3,4,5-trimethoxystyryl)caffeine

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: 82 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

Reference yield:

: 20329-98-0,20329-99-1,90-50-6
(E)-3,4,5-trimethoxy-cinnamic acid

: 51389-37-8
(E)-8-(3,4,5-trimethoxystyryl)caffeine

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: 82 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