5-benzyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Base Information

• Chemical Name: 5-benzyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
• CAS No.: 75263-95-5
• Molecular Formula: C₁₈H₁₄N₄O
• Molecular Weight: 302.335
• DSSTox Substance ID: DTXSID00996732
• Nikkaji Number: J78.793K
• Wikidata: Q82988587
• ChEMBL ID: CHEMBL569958
• Mol file: 75263-95-5.mol

Synonyms:75263-95-5;5-benzyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one;5-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one;BRN 5103598;ChemDiv2_007670;Oprea1_359121;Oprea1_821381;MLS000062230;CHEMBL569958;F0915-0487;SCHEMBL15591876;DTXSID00996732;HMS1390M14;HMS2386O14;1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-;5-Benzyl-1-phenyl-4,5-dihydro-1H-pyrazolo(3,4-d)pyrimidin-4-one;STK835762;AKOS000591025;IDI1_006385;SMR000071039;SR-01000467225;SR-01000467225-1;5-benzyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one;5-BENZYL-1-PHENYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE

Chemical Property of 5-benzyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Chemical Property:

• Vapor Pressure: 7.73E-11mmHg at 25°C
• Boiling Point: 518.1°C at 760 mmHg
• Flash Point: 267.1°C
• PSA: 54.57000
• Density: 1.27g/cm³
• LogP: 4.38210
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 302.11676108
• Heavy Atom Count: 23
• Complexity: 454

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Technology Process of 5-benzyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

There total 3 articles about 5-benzyl-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 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: 84.0%

ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate (16078-71-0) + orthoformic acid triethyl ester (122-51-0) + benzylamine (100-46-9) → 5-Benzyl-4-oxo-1-phenylpyrazolo<3,4-d>pyrimidine (75263-95-5)

Guidance literature:

In decalin; for 18h; Reflux;

DOI:10.1016/j.ejmech.2009.09.039

Reference yield: 69.0%

1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (21314-17-0) + benzyl bromide (100-39-0) → 5-Benzyl-4-oxo-1-phenylpyrazolo<3,4-d>pyrimidine (75263-95-5)

Guidance literature:

With potassium carbonate; In ethanol; for 1.5h; Heating;

Reference yield: 23.6%

N,N-Dimethyl-N'-(4-carboethoxy-1-phenylpyrazol-5-yl)formamidine hydrochloride (102129-13-5) + benzylamine (100-46-9) → 5-Benzyl-4-oxo-1-phenylpyrazolo<3,4-d>pyrimidine (75263-95-5)

Guidance literature:

With toluene-4-sulfonic acid; at 150 - 180 ℃; for 4h;

DOI:10.1007/BF00780177

upstream raw materials:

N,N-Dimethyl-N'-(4-carboethoxy-1-phenylpyrazol-5-yl)formamidine hydrochloride

benzylamine

1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

benzyl bromide

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