1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperidinyl)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-piperidinyl)ethyl)-1-methyl-3-(2-methylpropyl)-
CAS No.:110480-58-5
Molecular Formula:C₃₀H₃₅F₂N₅O₂
Molecular Weight:535.637
Hs Code.:
DSSTox Substance ID:DTXSID60149262
Wikidata:Q83014998

Synonyms:BRN 5683847;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperidinyl)ethyl)-1-methyl-3-(2-methylpropyl)-;110480-58-5;DTXSID60149262;C30H35F2N5O2;C30-H35-F2-N5-O2;LS-126569

Suppliers and Price of 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperidinyl)ethyl)-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-(bis(4-fluorophenyl)methyl)-1-piperidinyl)ethyl)-1-methyl-3-(2-methylpropyl)-

Chemical Property:

Vapor Pressure:3.41E-19mmHg at 25°C
Boiling Point:695.5°Cat760mmHg
Flash Point:374.4°C
Density:1.243g/cm³
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:535.27588170
Heavy Atom Count:39
Complexity:815

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)CCN3CCC(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-piperidinyl)ethyl)-1-methyl-3-(2-methylpropyl)-

There total 7 articles about 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperidinyl)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: 72.0%

: 60285-00-9
4-[bis(4-fluorophenyl)-methyl]piperidine

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

: 110480-58-5
8-(2-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperidin-1-yl}-ethyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

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

Reference yield:

: 60284-99-3
bis(4-fluorophenyl)(piperidin-4-yl)methanol hydrochloride

: 110480-58-5
8-(2-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperidin-1-yl}-ethyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 3 steps

1: conc. HCl / Heating

2: H₂ / 10percent Pd/C / acetic acid / 4560 Torr

3: 72 percent / methanol / Heating

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; acetic acid;
DOI:10.1016/0223-5234(87)90056-0

Reference yield:

: 58113-23-8
4-[bis-(4-fluorophenyl)-methylene]-piperidine hydrochloride salt

: 110480-58-5
8-(2-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperidin-1-yl}-ethyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / acetic acid / 4560 Torr

2: 72 percent / methanol / Heating

With hydrogen; palladium on activated charcoal; In methanol; acetic acid;
DOI:10.1016/0223-5234(87)90056-0