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

Base Information

• Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-((4-(diphenylmethyl)-1-piperazinyl)methyl)-1-methyl-3-(2-methylpropyl)-
• CAS No.: 90749-57-8
• Molecular Formula: C₂₈H₃₄N₆O₂
• Molecular Weight: 486.617
• DSSTox Substance ID: DTXSID80920196
• Wikidata: Q82892866
• Mol file: 90749-57-8.mol

Synonyms:BRN 5677726;1H-Purine-2,6-dione, 3,7-dihydro-8-((4-(diphenylmethyl)-1-piperazinyl)methyl)-1-methyl-3-(2-methylpropyl)-;90749-57-8;SCHEMBL10957112;DTXSID80920196;8-{[4-(Diphenylmethyl)piperazin-1-yl]methyl}-1-methyl-3-(2-methylpropyl)-3,9-dihydro-1H-purine-2,6-dione

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

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 486.27432435
• Heavy Atom Count: 36
• Complexity: 739

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)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

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

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

1-isobutyl-3-methyl-5-nitroso-6-amino uracil (54052-67-4) → 1-methyl-3-isobutyl-8-[(4-diphenylmethylpiperazinyl)-methyl]xanthine (90749-57-8)

Guidance literature:

Multi-step reaction with 5 steps

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

2: 91 percent / 1.) 100 deg C, 4 h; 2.) 20 deg C, 20 h

3: 69 percent / 12N NaOH / H₂O / 2 h / 100 °C

4: 96 percent / 48percent HBr, HBr (gas) / 20 h / Heating

5: 37 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:

5,6-diamino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione (78033-18-8) → 1-methyl-3-isobutyl-8-[(4-diphenylmethylpiperazinyl)-methyl]xanthine (90749-57-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 91 percent / 1.) 100 deg C, 4 h; 2.) 20 deg C, 20 h

2: 69 percent / 12N NaOH / H₂O / 2 h / 100 °C

3: 96 percent / 48percent HBr, HBr (gas) / 20 h / Heating

4: 37 percent / methanol / 20 h / Heating

With sodium hydroxide; hydrogen bromide; In methanol; water;

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

Reference yield:

3-isobutyl-8-methoxymethyl-1-methylxanthine (78033-08-6) → 1-methyl-3-isobutyl-8-[(4-diphenylmethylpiperazinyl)-methyl]xanthine (90749-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / 48percent HBr, HBr (gas) / 20 h / Heating

2: 37 percent / methanol / 20 h / Heating

With hydrogen bromide; In methanol;

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

upstream raw materials:

5,6-diamino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione

3-isobutyl-8-methoxymethyl-1-methylxanthine

Bromodiphenylmethane

1-isobutyl-3-methyl-5-nitroso-6-amino uracil