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

Base Information

Chemical Name:(E)-8-(3-Chlorostyryl)-1,3-dipropylxanthine
CAS No.:147700-45-6
Molecular Formula:C19H21 Cl N4 O2
Molecular Weight:372.8486
Hs Code.:
Nikkaji Number:J551.324C
Wikidata:Q76389253
ChEMBL ID:CHEMBL28395

Synonyms:(E)-8-(3-Chlorostyryl)-1,3-dipropylxanthine;CHEMBL28395;(E)-8-(2-(3-Chlorophenyl)ethenyl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chlorophenyl)ethenyl)-1,3-dipropyl-, (E)-;147700-45-6;C19H21ClN4O2;SCHEMBL7722847;SCHEMBL7722853;NLKAWGYDEDANHI-CMDGGOBGSA-N;BDBM50047154;1,3-Dipropyl-8-(3-chlorostyryl)xanthine;LS-126646;8-[2-(3-Chloro-phenyl)-vinyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione

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

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-dipropylxanthine

Chemical Property:

Vapor Pressure:2.91E-14mmHg at 25°C
Boiling Point:598°Cat760mmHg
Flash Point:315.5°C
Density:1.302g/cm³
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:372.1353036
Heavy Atom Count:26
Complexity:556

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

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

There total 5 articles about (E)-8-(3-Chlorostyryl)-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: 67.0%

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

Guidance literature:

Reference yield:

: 1026488-67-4
(E)-N-(6-Amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-3-(3-chloro-phenyl)-acrylamide

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

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

Reference yield:

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

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

Guidance literature:: Multi-step reaction with 3 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

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