3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-Methyl- 1-phenyl-1H-pyrazol-4-yl)-5-Methyl-2-phenyl-

Base Information

• Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-Methyl- 1-phenyl-1H-pyrazol-4-yl)-5-Methyl-2-phenyl-
• CAS No.: 124009-63-8
• Molecular Formula: C30H26N6O3
• Molecular Weight: 518.575
• Mol file: 124009-63-8.mol

Synonyms:3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-Methyl- 1-phenyl-1H-pyrazol-4-yl)-5-Methyl-2-phenyl-;4,4-bis(5-hydroxy-3-Methyl-1-phenyl-1H-pyrazol-4-yl)-3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one;2,4-Dihydro-4,4-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-methyl-2-phenyl-3H-pyrazol-3-one;5,5''-Dihydroxy-3,3',3''-trimethyl-1,1',1''-triphenyl-[4,4':4',4''-ter-1H-pyrazol]-5'(4'H)-one;Edaravone TriMer IMpurity;Edaravone TriMer

Chemical Property of 3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-Methyl- 1-phenyl-1H-pyrazol-4-yl)-5-Methyl-2-phenyl-

Chemical Property:

• Boiling Point: 743.4±60.0 °C(Predicted)
• PKA: 7.73±0.50(Predicted)
• PSA: 108.77000
• Density: 1.34±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 4.29540

Purity/Quality:

NLT 98% ^*data from raw suppliers

2,4-Dihydro-4,4-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-methyl-2-phenyl-3H-pyrazol-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,4-Dihydro-4,4-bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-methyl-2-phenyl-3H-pyrazol-3-one can be studied from reactions of 6-?amino-?5-?cyano-?3-?methyl-?1,?4-?diphenyl-?1H,?4H-?pyrano[2,?3-?c]?pyrazole; a novel synthesis of 4-?arylidene-?3-?methyl-?1-?phenyl-?2-?pyrazolin-?5-?one derivatives.

Technology Process of 3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-Methyl- 1-phenyl-1H-pyrazol-4-yl)-5-Methyl-2-phenyl-

There total 7 articles about 3H-Pyrazol-3-one, 2,4-dihydro-4,4-bis(5-hydroxy-3-Methyl- 1-phenyl-1H-pyrazol-4-yl)-5-Methyl-2-phenyl- 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: 92.0%

edaravone (89-25-8) → 5,5''-dihydroxy-3,3'',5'-trimethyl-1,1'',2'-triphenyl-1H,1''H-[4,4':4',4''-terpyrazol]-3'(2'H)-one (124009-63-8)

Guidance literature:

With ammonium iodide; tetrabutylammonium nitrate; In dimethyl sulfoxide; acetonitrile; at 20 ℃; Reagent/catalyst; Solvent; Electrolysis; Inert atmosphere;

DOI:10.1002/ejoc.202100988

Reference yield: 82.0%

(E)-5,5'-dimethyl-2,2'-diphenyl-2H,2'H-[4,4']bipyrazolylidene-3,3'-dione (74451-57-3) + edaravone (89-25-8) → 5,5''-dihydroxy-3,3'',5'-trimethyl-1,1'',2'-triphenyl-1H,1''H-[4,4':4',4''-terpyrazol]-3'(2'H)-one (124009-63-8)

Guidance literature:

Reference yield: 46.0%

C10H9IN2O + edaravone (89-25-8) → 5,5''-dihydroxy-3,3'',5'-trimethyl-1,1'',2'-triphenyl-1H,1''H-[4,4':4',4''-terpyrazol]-3'(2'H)-one (124009-63-8)

Guidance literature:

With tetrabutylammonium nitrate; In dimethyl sulfoxide; acetonitrile; at 20 ℃; Electrolysis; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.202100988

upstream raw materials:

4-Diethylamino-phenylimino-3-methyl-1-phenyl-2-pyrazolin-5-on

edaravone

(E)-5,5'-dimethyl-2,2'-diphenyl-2H,2'H-[4,4']bipyrazolylidene-3,3'-dione

Furlongelb

Refernces

• 1、 -. "Preparation method of edaravone impurity standard product". Paragraph 0016; 0042-0063. . Retrieved 2017/06/02.
• 2、 Kucybala, Z.,Gaca, J.. "Investigations on the Reaction of Pyrazolone Azomethine Dyes with 2-Pyrazolin-5-one-Derivatives". . p. 435 - 439. Retrieved 2007/10/02.