3-phenylindeno[1,2-c]pyrazol-4(2H)-one

Base Information

• Chemical Name: 3-phenylindeno[1,2-c]pyrazol-4(2H)-one
• CAS No.: 56767-20-5
• Molecular Formula: C16H10N2O
• Molecular Weight: 246.26300
• DSSTox Substance ID: DTXSID60393763
• Mol file: 56767-20-5.mol

Synonyms:3-phenylindeno[1,2-c]pyrazol-4(2H)-one;56767-20-5;3-phenyl-1H-indeno[1,2-c]pyrazol-4-one;1020252-40-7;3-phenylindeno[1,2-c]pyrazol-4(1H)-one;3-phenylindeno[3,2-c]pyrazol-4-one;SBB062313;SCHEMBL7090159;SCHEMBL12856433;DTXSID60393763;WBJSAJUPDRXEPQ-UHFFFAOYSA-N;MFCD00170634;AKOS005110459;MS-6527;3-Phenylindeno[1,2-c]pyrazol-4-(1H)-one;3-PHENYL-1H,4H-INDENO[1,2-C]PYRAZOL-4-ONE

Chemical Property of 3-phenylindeno[1,2-c]pyrazol-4(2H)-one

Chemical Property:

• PSA: 45.75000
• LogP: 3.28810
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 246.079312947
• Heavy Atom Count: 19
• Complexity: 364

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NNC3=C2C(=O)C4=CC=CC=C43

Technology Process of 3-phenylindeno[1,2-c]pyrazol-4(2H)-one

There total 5 articles about 3-phenylindeno[1,2-c]pyrazol-4(2H)-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: 100.0%

3-phenyl-1,4-dihydroindeno[1,2-c]pyrazole → 3-phenyl-1(2)H-indeno[1,2-c]pyrazol-4-one (56767-20-5)

Guidance literature:

With oxygen; caesium carbonate; In N,N-dimethyl-formamide; Inert atmosphere;

DOI:10.1021/acs.joc.6b02076

Reference yield: 43.0%

2-benzoyl-1,3-indanedione (1785-95-1) → 3-phenyl-1(2)H-indeno[1,2-c]pyrazol-4-one (56767-20-5)

Guidance literature:

With hydrazine; In methanol; at 30 ℃; for 4h;

DOI:10.1135/cccc19942734

Reference yield:

4-methyl-N'-[2-(3-phenylprop-2-yn-1-yl)benzylidene]benzenesulfonohydrazide → 3-phenyl-1(2)H-indeno[1,2-c]pyrazol-4-one (56767-20-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium tert-butoxide / 1,4-dioxane / 12 h / 60 °C / Inert atmosphere

2: caesium carbonate; oxygen / N,N-dimethyl-formamide / Inert atmosphere

With oxygen; caesium carbonate; lithium tert-butoxide; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1021/acs.joc.6b02076

upstream raw materials:

2-benzoyl-1,3-indanedione

2-(3-phenylprop-2-yn-1-yl)benzaldehyde

Downstream raw materials:

4-methyl-3-phenyl-1,4-dihydroindeno[1,2-c]pyrazol-4-ol

3-phenyl-1,4-dihydroindeno[1,2-c]pyrazol-4-ol