1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone

Base Information

• Chemical Name: 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone
• CAS No.: 30707-68-7
• Molecular Formula: C15H8Cl4N4O3
• Molecular Weight: 434.066
• Mol file: 30707-68-7.mol

Synonyms:2-Pyrazolin-5-one,3-(2-chloro-5-nitroanilino)-1-(2,4,6-trichlorophenyl)- (8CI);3-(2-Chloro-5-nitroanilino)-1-(2,4,6-trichlorophenyl)pyrazolone;

Chemical Property of 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone

Chemical Property:

• Vapor Pressure: 1.13E-11mmHg at 25°C
• Melting Point: 274-278 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.727
• Boiling Point: 538.7 °C at 760 mmHg
• PKA: 1.63±0.50(Predicted)
• Flash Point: 279.6 °C
• PSA: 90.52000
• Density: 1.74 g/cm³
• LogP: 5.46750
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-((2-Chloro-5-nitrophenyl)amino)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5(4H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone

There total 10 articles about 1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone 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: 25.0%

4-(2-chloro-5-nitrophenyl)-3-<2-oxo-2-(2,4,6-trichloroanilino)ethyl>-1,2,4-oxadiazolin-5-one (111888-40-5) → 3-(2-chloro-5-nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one (30707-68-7)

Guidance literature:

With sodium hydrogencarbonate; In methanol; water; for 2h; Heating;

Reference yield:

3-(2-chloro-5-nitroanilino)-3-oximino-2',4',6'-trichloropropionanilide (85573-32-6) → 3-(2-chloro-5-nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one (30707-68-7)

Guidance literature:

Yield given. Multistep reaction;

Reference yield:

H2NC6H3(Cl)NO2 (6283-25-6) → 3-(2-chloro-5-nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one (30707-68-7)

Guidance literature:

Multi-step reaction with 5 steps

1: 64 percent / 18 h / 40 °C

2: 70 percent / hydroxylamine / methanol; tetrahydrofuran / 7 h / Heating

3: 88 percent / pyridine / tetrahydrofuran / 1.5 h / Ambient temperature

4: 81 percent / acetic acid / 2 h / Heating

5: 25 percent / NaHCO₃ / H₂O; methanol / 2 h / Heating

With pyridine; hydroxylamine; sodium hydrogencarbonate; In tetrahydrofuran; methanol; water; acetic acid;

upstream raw materials:

3-(2-chloro-5-nitroanilino)-3-oximino-2',4',6'-trichloropropionanilide

4-(2-chloro-5-nitrophenyl)-3-<2-oxo-2-(2,4,6-trichloroanilino)ethyl>-1,2,4-oxadiazolin-5-one

3-(2-chloro-5-nitroanilino)-3-acetyloximino-2',4',6'-trichloropropionanilide

H₂NC₆H₃(Cl)NO₂

Refernces

• 1、 -. "Method for preparing 1-aryl-3-arylamino-2-pyrazolin-5-ones from N-aryl-3-arylamino-3-oximinopropionamides". . . Retrieved 2008/06/13.