(E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine

Base Information

Chemical Name:(E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine
CAS No.:155271-63-9
Molecular Formula:C18H19 Cl N4 O2
Molecular Weight:358.827
Hs Code.:
Nikkaji Number:J2.888.334J
Wikidata:Q76389445
Mol file:155271-63-9.mol

Synonyms:(E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine;155271-63-9;(E)-8-(2-(3-Chlorophenyl)ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chlorophenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-;SCHEMBL7314940;SCHEMBL7314948;BDBM110145;LS-126644;1,3-Diethyl-7-methyl-8-(3-chlorostyryl)xanthine;(E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine (6a)

Suppliers and Price of (E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine

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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Total 0 raw suppliers

Chemical Property of (E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine

Chemical Property:

Vapor Pressure:4.11E-13mmHg at 25°C
Boiling Point:572.5°C at 760 mmHg
Flash Point:300°C
Density:1.3g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:358.1196536
Heavy Atom Count:25
Complexity:555

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=CC=C3)Cl)C
Isomeric SMILES:CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=CC=C3)Cl)C

Technology Process of (E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine

There total 4 articles about (E)-8-(3-Chlorostyryl)-1,3-diethyl-7-methylxanthine 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: 87.6%

: 155271-62-8
(E)-8-(3-Chlorostyryl)-1,3-diethylxanthine

: 74-88-4
methyl iodide

: 155271-63-9
(E)-8-(3-chlorostyryl)-1,3-diethyl-7-methylxanthine

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide;
DOI:10.1016/S0968-0896(02)00648-X

Reference yield: 45.0%

: 155271-63-9
(E)-8-(3-chlorostyryl)-1,3-diethyl-7-methylxanthine

Guidance literature:

Reference yield:

: 52998-22-8
5,6-diamino-1,3-diethyluracil

: 155271-63-9
(E)-8-(3-chlorostyryl)-1,3-diethyl-7-methylxanthine

Guidance literature:: Multi-step reaction with 2 steps

1.1: EDAC / dioxane; H₂O

1.2: 27 percent / aq. NaOH / Heating

2.1: 87.6 percent / K₂CO₃ / dimethylformamide

With potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; water; N,N-dimethyl-formamide;
DOI:10.1016/S0968-0896(02)00648-X