Methanone, phenyl(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-

Base Information

• Chemical Name: Methanone, phenyl(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-
• CAS No.: 59563-84-7
• Molecular Formula: C18H12N4O
• Molecular Weight: 300.319
• DSSTox Substance ID: DTXSID60453598
• Nikkaji Number: J338.168D
• Wikidata: Q82274773
• Mol file: 59563-84-7.mol

Synonyms:59563-84-7;Methanone, phenyl(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-;DTXSID60453598;1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl(phenyl) ketone

Chemical Property of Methanone, phenyl(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 300.10111102
• Heavy Atom Count: 23
• Complexity: 417

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C3C=NN(C3=NC=N2)C4=CC=CC=C4

Technology Process of Methanone, phenyl(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-

There total 12 articles about Methanone, phenyl(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)- 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: 82.0%

4-chloro-1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidine (5334-48-5) + benzaldehyde (100-52-7) → phenyl-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-methanone (59563-84-7)

Guidance literature:

With sodium hydride; 2-methylpyrido<1,2-c>imidazolium iodide; In tetrahydrofuran; for 1h; Heating;

DOI:10.3987/COM-95-7311

Reference yield: 79.0%

4-chloro-1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidine (5334-48-5) + 1,3-dimethyl-2-(α-hydroxybenzyl)benzimidazolium iodide (1681-56-7) → phenyl-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-methanone (59563-84-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 1h; Heating;

DOI:10.3987/COM-96-S40

Reference yield: 74.0%

1-phenyl-4-(toluene-4-sulfonyl)-1H-pyrazolo[3,4-d]pyrimidine (66421-39-4) + benzaldehyde (100-52-7) → phenyl-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-methanone (59563-84-7)

Guidance literature:

With potassium cyanide; In N,N-dimethyl-formamide; at 80 ℃; for 1h;

DOI:10.3987/COM-97-S(N)53

upstream raw materials:

4-chloro-1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidine

benzaldehyde

Benzoic acid cyano-phenyl-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-methyl ester

1,3-dimethyl-2-(α-hydroxybenzyl)benzimidazolium iodide

Downstream raw materials:

4-phenyl-4,5-dihydro-1-phenyl-1H-pyrazolo<3,4-d>pyrimidine-4-carboxylic acid

1-phenyl-4-phenylpyrazolo<3,4-d>pyrimidine

6-anilino-4-phenyl-5-pyrimidinecarbonitrile