(E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine

Base Information

Chemical Name:(E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine
CAS No.:147700-46-7
Molecular Formula:C₂₀H₂₃ClN₄O₂
Molecular Weight:386.881
Hs Code.:
Nikkaji Number:J551.325A
ChEMBL ID:CHEMBL25964

Synonyms:(E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine;CHEMBL25964;(E)-8-(2-(3-Chlorophenyl)ethenyl)-1,3-dipropyl-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-dipropyl-7-methyl-, (E)-;147700-46-7;SCHEMBL5142395;BDBM50047179;LS-126648;1,3-dipropyl-7-methyl-8-(3-chlorostyryl)xanthine;8-[2-(3-Chloro-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

Suppliers and Price of (E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of (E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine

Chemical Property:

Vapor Pressure:9.06E-14mmHg at 25°C
Boiling Point:587.2°C at 760 mmHg
Flash Point:308.9°C
Density:1.25g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:386.1509537
Heavy Atom Count:27
Complexity:584

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=CC=C3)Cl)C
Isomeric SMILES:CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=CC=C3)Cl)C

Technology Process of (E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine

There total 6 articles about (E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine 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: 91.0%

: 147700-46-7
(E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine

Guidance literature:

Reference yield: 67.0%

: 147700-45-6
(E)-8-(3-Chlorostyryl)-1,3-dipropylxanthine

: 74-88-4
methyl iodide

: 147700-46-7
(E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine

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

Reference yield:

: 5-amino-6-nitroso-1,3-dipropyluracil

: 147700-46-7
(E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / 5percent Pd/C / dimethylformamide / 2068.6 Torr

2: 1-<3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride, 4-(N,N-dimethylamino)pyridine, imidazole / dimethylformamide / 3 h / Ambient temperature

3: 4 N aq. NaOH / methanol / 2 h / 60 °C

4: 67 percent / K₂CO₃ / dimethylformamide / 0.5 h / 60 °C

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