1-(4-bromophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

Base Information

• Chemical Name: 1-(4-bromophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
• CAS No.: 14580-15-5
• Molecular Formula: C10H9 Br N2 O
• Molecular Weight: 253.098
• European Community (EC) Number: 856-520-0
• DSSTox Substance ID: DTXSID10360869
• Wikidata: Q82142878
• Mol file: 14580-15-5.mol

Synonyms:14580-15-5;1-(4-bromophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one;2-(4-BROMOPHENYL)-5-METHYL-4H-PYRAZOL-3-ONE;1-(4-Bromophenyl)-3-methyl-1H-pyrazol-5(4H)-one;3H-Pyrazol-3-one, 2-(4-bromophenyl)-2,4-dihydro-5-methyl-;2-Bromo-phenyl-3-methyl -1-( 4-bromophenyl ) -3- methyl- 5- pyrazolone;2-(4-Bromo-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one;SCHEMBL4257409;DTXSID10360869;DFQPWWDYYNSRQV-UHFFFAOYSA-N;AKOS000289050;CS-0249555;EN300-43871;CS-004/03870061;Z359504136;2-(4-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one;InChI=1/C10H9BrN2O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-5H,6H2,1H

Chemical Property of 1-(4-bromophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

Chemical Property:

• PSA: 32.67000
• LogP: 2.06230
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.98983
• Heavy Atom Count: 14
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

1-(4-bromophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1)C2=CC=C(C=C2)Br

Technology Process of 1-(4-bromophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

There total 5 articles about 1-(4-bromophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-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: 89.0%

ethyl acetoacetate (141-97-9) + (4-bromophenyl)hydrazine (589-21-9) → 2-(4-Bromo-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one (14580-15-5)

Guidance literature:

With acetic acid; at 100 ℃; for 1h;

DOI:10.1055/s-0035-1561460

Reference yield: 70.1%

→ 2-(4-Bromo-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one (14580-15-5)

Guidance literature:

In acetic acid; for 16h; Reflux;

Reference yield: 70.0%

4-bromophenylhydrazine hydrochloride (622-88-8,41931-18-4) + ethyl acetoacetate (141-97-9) → 2-(4-Bromo-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one (14580-15-5)

Guidance literature:

With acetic acid; for 8h; Reflux;

DOI:10.1002/adsc.201300964

upstream raw materials:

ethyl acetoacetate

(4-bromophenyl)hydrazine

4-bromophenylhydrazine hydrochloride

Downstream raw materials:

5-Methyl-4-(1-methylethylidene)-2-(4'-bromophenyl)-2,4-dihydro-3H-pyrazol-3-one

C₂₅H₂₂Br₂N₄O₂

2-(4-bromophenyl)-2,4-dihydro-4-bis(methylmercapto)methylene-5-methyl-3H-pyrazol-3-one

5-Methyl-4-(1'-methyl-4'-oxopenta-2'-yl)-2-(4''-bromophenyl)-2,4-dihydro-3H-pyrazol-3-one