1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)ethyl)-1-methyl-3-(2-methylpropyl)-

Base Information

Chemical Name:1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)ethyl)-1-methyl-3-(2-methylpropyl)-
CAS No.:90749-42-1
Molecular Formula:C₂₉H₃₄F₂N₆O₂
Molecular Weight:536.625
Hs Code.:
DSSTox Substance ID:DTXSID10920200
Wikidata:Q82892870

Synonyms:BRN 5685966;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)ethyl)-1-methyl-3-(2-methylpropyl)-;90749-42-1;SCHEMBL10923609;DTXSID10920200;8-(2-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}ethyl)-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-(bis(4-fluorophenyl)methyl)-1-piperazinyl)ethyl)-1-methyl-3-(2-methylpropyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

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

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:536.27113067
Heavy Atom Count:39
Complexity:818

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)CCN3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

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

There total 6 articles about 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)ethyl)-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: 45.0%

: 90749-63-6
1-methyl-3-isobutyl-8-(2-bromoethyl)xanthine

: 27469-60-9
1-(4-fluorophenyl)methyl-piperazine

: 110469-11-9
3-Isobutyl-1-methyl-8-vinyl-3,7-dihydro-purine-2,6-dione

: 90749-42-1
1-methyl-3-isobutyl-8-[2-(4-di[para-fluorophenyl]-methylpiperazinyl)ethyl]xanthine

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

Reference yield:

: 54052-67-4
1-isobutyl-3-methyl-5-nitroso-6-amino uracil

: 90749-42-1
1-methyl-3-isobutyl-8-[2-(4-di[para-fluorophenyl]-methylpiperazinyl)ethyl]xanthine

Guidance literature:: Multi-step reaction with 5 steps

1: 94 percent / H₂ / Raney-NiW-2 / methanol / 4 h / 5320 Torr

2: 87 percent / 1.) 100 deg C, 4 h; 2.) 20 deg C, 20 h

3: 89 percent / 12N NaOH / H₂O / 2 h / 100 °C

4: 83 percent / 48percent HBr, HBr (gas) / 20 h / Heating

5: 45 percent / methanol / 20 h / Heating

With sodium hydroxide; hydrogen bromide; hydrogen; Raney-NiW-2; In methanol; water;
DOI:10.1016/0223-5234(87)90056-0

Reference yield:

: 78033-18-8
5,6-diamino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione

: 90749-42-1
1-methyl-3-isobutyl-8-[2-(4-di[para-fluorophenyl]-methylpiperazinyl)ethyl]xanthine

Guidance literature:: Multi-step reaction with 4 steps

1: 87 percent / 1.) 100 deg C, 4 h; 2.) 20 deg C, 20 h

2: 89 percent / 12N NaOH / H₂O / 2 h / 100 °C

3: 83 percent / 48percent HBr, HBr (gas) / 20 h / Heating

4: 45 percent / methanol / 20 h / Heating

With sodium hydroxide; hydrogen bromide; In methanol; water;
DOI:10.1016/0223-5234(87)90056-0