5-(4-Iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole

Base Information

• Chemical Name: 5-(4-Iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole
• CAS No.: 3600-52-0
• Molecular Formula: C21H17 I N2
• Molecular Weight: 424.2776
• European Community (EC) Number: 667-068-7
• NSC Number: 142149
• DSSTox Substance ID: DTXSID90301270
• Mol file: 3600-52-0.mol

Synonyms:3600-52-0;5-(4-iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole;3-(4-iodophenyl)-2,5-diphenyl-3,4-dihydropyrazole;NSC142149;DTXSID90301270;AKOS024430857;NSC-142149

Chemical Property of 5-(4-Iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole

Chemical Property:

• Vapor Pressure: 2.84E-10mmHg at 25°C
• Boiling Point: 503.7°Cat760mmHg
• Flash Point: 258.4°C
• Density: 1.46g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 424.04365
• Heavy Atom Count: 24
• Complexity: 429

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)I

Technology Process of 5-(4-Iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole

There total 1 articles about 5-(4-Iodophenyl)-1,3-diphenyl-4,5-dihydro-1h-pyrazole 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:

<4-Iodbenzyliden>acetophenon (14548-42-6) + phenylhydrazine (100-63-0) → 5-(4-iodo-phenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole (3600-52-0)

Guidance literature:

With ethanol;

Reference yield:

5-(4-iodo-phenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole (3600-52-0) + 1-amino-2-propene (107-11-9,30551-89-4) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → N-allyl-4-(1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-yl)benzamide

Guidance literature:

With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; at 125 ℃; for 1h; Microwave irradiation;

DOI:10.1016/j.jorganchem.2020.121417

Reference yield:

5-(4-iodo-phenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole (3600-52-0) → 4-(1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-N-(2-methyl-3-oxopropyl)benzamide

Guidance literature:

Multi-step reaction with 2 steps

1: palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene / 1,4-dioxane / 1 h / 125 °C / Microwave irradiation

2: triphenylphosphine; dicarbonylacetylacetonato rhodium (I); hydrogen / 1,4-dioxane / 12 h / 50 °C / 6000.6 Torr / Autoclave

With dicarbonylacetylacetonato rhodium (I); hydrogen; palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; In 1,4-dioxane;

DOI:10.1016/j.jorganchem.2020.121417

upstream raw materials:

<4-Iodbenzyliden>acetophenon

phenylhydrazine

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