1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-1-methyl-3-(2-methylpropyl)-

Base Information

Chemical Name:1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-1-methyl-3-(2-methylpropyl)-
CAS No.:110480-52-9
Molecular Formula:C₂₉H₃₆N₆O₃
Molecular Weight:516.643
Hs Code.:
DSSTox Substance ID:DTXSID60911704

Synonyms:S 10337;BRN 5684649;110480-52-9;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-1-methyl-3-(2-methylpropyl)-;DTXSID60911704;C29H36N6O3;C29-H36-N6-O3;LS-126965;8-{2-[4-(Diphenylmethyl)piperazin-1-yl]-1-hydroxyethyl}-1-methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione

Suppliers and Price of 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-1-methyl-3-(2-methylpropyl)-

Supply Marketing:

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

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Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-1-methyl-3-(2-methylpropyl)-

Chemical Property:

Vapor Pressure:5.67E-22mmHg at 25°C
Boiling Point:723.5°Cat760mmHg
Flash Point:391.4°C
Density:1.254g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:516.28488903
Heavy Atom Count:38
Complexity:788

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Technology Process of 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-1-methyl-3-(2-methylpropyl)-

There total 5 articles about 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-1-methyl-3-(2-methylpropyl)- 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: 17.0%

: 841-77-0
diphenylmethylpiperazine

: 110480-66-5
1-methyl-3-isobutyl-8-(2-bromo-1-hydroxyethyl)xanthine

: 110480-52-9
8-[2-(4-Benzhydryl-piperazin-1-yl)-1-hydroxy-ethyl]-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: In methanol; for 20h; Heating;
DOI:10.1016/0223-5234(87)90056-0

Reference yield:

: 1-methyl-3-isobutyl-8-(1-hydroxyethyl)xanthine

: 110480-52-9
8-[2-(4-Benzhydryl-piperazin-1-yl)-1-hydroxy-ethyl]-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 4 steps

1: CrO₃ / acetic acid

2: 82 percent / pyrrolidone hydrotribromide / acetic acid / 1.5 h / Heating

3: 94 percent / NaBH₄ / methanol / 1 h / 5 °C

4: 17 percent / methanol / 20 h / Heating

With chromium(VI) oxide; sodium tetrahydroborate; pyrrolidone hydrotribromide; In methanol; acetic acid;
DOI:10.1016/0223-5234(87)90056-0

Reference yield:

: 1-methyl-3-isobutyl-8-acetylxanthine

: 110480-52-9
8-[2-(4-Benzhydryl-piperazin-1-yl)-1-hydroxy-ethyl]-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / pyrrolidone hydrotribromide / acetic acid / 1.5 h / Heating

2: 94 percent / NaBH₄ / methanol / 1 h / 5 °C

3: 17 percent / methanol / 20 h / Heating

With sodium tetrahydroborate; pyrrolidone hydrotribromide; In methanol; acetic acid;
DOI:10.1016/0223-5234(87)90056-0