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

Base Information

• Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-3-(2-methylpropyl)-
• CAS No.: 110480-53-0
• Molecular Formula: C₂₈H₃₄N₆O₃
• Molecular Weight: 502.616
• DSSTox Substance ID: DTXSID20911705
• Mol file: 110480-53-0.mol

Synonyms:BRN 5683332;110480-53-0;1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-3-(2-methylpropyl)-;SCHEMBL10957892;DTXSID20911705;C28H34N6O3;C28-H34-N6-O3;LS-126966;8-{2-[4-(Diphenylmethyl)piperazin-1-yl]-1-hydroxyethyl}-6-hydroxy-3-(2-methylpropyl)-3,9-dihydro-2H-purin-2-one

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.267g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 502.26923897
• Heavy Atom Count: 37
• Complexity: 758

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C2=C(C(=O)NC1=O)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)-3-(2-methylpropyl)-

There total 3 articles about 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(diphenylmethyl)-1-piperazinyl)-1-hydroxyethyl)-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: 21.0%

diphenylmethylpiperazine (841-77-0) + 8-(2-Bromo-1-hydroxy-ethyl)-3-isobutyl-3,7-dihydro-purine-2,6-dione (110480-67-6) → 8-[2-(4-Benzhydryl-piperazin-1-yl)-1-hydroxy-ethyl]-3-isobutyl-3,7-dihydro-purine-2,6-dione (110480-53-0)

Guidance literature:

In methanol; for 20h; Heating;

DOI:10.1016/0223-5234(87)90056-0

Reference yield:

8-(2-Bromo-acetyl)-3-isobutyl-3,7-dihydro-purine-2,6-dione → 8-[2-(4-Benzhydryl-piperazin-1-yl)-1-hydroxy-ethyl]-3-isobutyl-3,7-dihydro-purine-2,6-dione (110480-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / NaBH₄ / methanol / 1 h / 5 °C

2: 21 percent / methanol / 20 h / Heating

With sodium tetrahydroborate; In methanol;

DOI:10.1016/0223-5234(87)90056-0

Reference yield:

Bromodiphenylmethane (776-74-9) → 8-[2-(4-Benzhydryl-piperazin-1-yl)-1-hydroxy-ethyl]-3-isobutyl-3,7-dihydro-purine-2,6-dione (110480-53-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Heating

2: 21 percent / methanol / 20 h / Heating

In methanol; ethanol;

DOI:10.1016/0223-5234(87)90056-0

upstream raw materials:

diphenylmethylpiperazine

8-(2-Bromo-1-hydroxy-ethyl)-3-isobutyl-3,7-dihydro-purine-2,6-dione

Bromodiphenylmethane