4-{[5-(4-Bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Base Information

• Chemical Name: 4-{[5-(4-Bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
• CAS No.: 4443-41-8
• Molecular Formula: C21H13BrClN3O4
• Molecular Weight: 486.7026
• DSSTox Substance ID: DTXSID20387901
• Mol file: 4443-41-8.mol

Synonyms:4443-41-8;DTXSID20387901;4-{[5-(4-Bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property of 4-{[5-(4-Bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

• Vapor Pressure: 3.69E-14mmHg at 25°C
• Boiling Point: 595.7°C at 760 mmHg
• Flash Point: 314.1°C
• Density: 1.61g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 484.97780
• Heavy Atom Count: 30
• Complexity: 755

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Br)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Technology Process of 4-{[5-(4-Bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

There total 4 articles about 4-{[5-(4-Bromo-3-nitrophenyl)furan-2-yl]methylidene}-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-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:

i-C4H9B(SC4H9)2 (95876-03-2) → Diisobutyl-thioborsaeure-butylester (4443-41-8)

Guidance literature:

at 240 - 250 ℃; for 10h;

Reference yield:

1,1,2,2-tetrakis-butylsulfanyl-diborane(6) + isobutene (115-11-7,15220-85-6) → Diisobutyl-thioborsaeure-butylester (4443-41-8)

Guidance literature:

With pyridine;

DOI:10.1007/BF01161556

Reference yield:

triisobutylborane (1116-39-8) + trithioboric acid tributyl ester (998-46-9) → Diisobutyl-thioborsaeure-butylester (4443-41-8)

Guidance literature:

at 240 - 250 ℃; for 30h;

upstream raw materials:

triisobutylborane

n-butanethiol

isobutene

trithioboric acid tributyl ester