4-acetyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Base Information

Chemical Name:4-acetyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
CAS No.:40570-67-0
Molecular Formula:C13H14N2O2
Molecular Weight:230.266
Hs Code.:2933199090
DSSTox Substance ID:DTXSID90355697
Nikkaji Number:J1.078.499I
Wikidata:Q82134732
Mol file:40570-67-0.mol

Synonyms:40570-67-0;4-acetyl-1,5-dimethyl-2-phenylpyrazol-3-one;4-Acetyl-antipyrine;4-acetyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one;4-Acetyl-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one;SCHEMBL2109064;DTXSID90355697;FT-0617404;AA-516/25012258;1,5-Dimethyl-1,2-dihydro-2-phenyl-4-acetyl-3H-pyrazole-3-one

Suppliers and Price of 4-acetyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-ACETYLANTIPYRINE 95.00%
5MG
$ 496.29

Total 0 raw suppliers

Chemical Property of 4-acetyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Chemical Property:

Melting Point:156-158 °C
Boiling Point:356.6±52.0 °C(Predicted)
PKA:-1.52±0.60(Predicted)
PSA：44.00000
Density:1.199±0.06 g/cm3(Predicted)
LogP:1.68700
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:230.105527694
Heavy Atom Count:17
Complexity:381

Purity/Quality:: 4-ACETYLANTIPYRINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C

Technology Process of 4-acetyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

There total 8 articles about 4-acetyl-1,5-dimethyl-2-phenyl-1,2-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: 52.0%

: 60-80-0
antipyrine

: 127-17-3
2-oxo-propionic acid

: 40570-67-0
4-acetyl-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one

Guidance literature:: With dipotassium peroxodisulfate; copper diacetate; In methanol; water; at 60 ℃; Green chemistry;
DOI:10.1002/adsc.201800464

Reference yield: 8.0%

: 64598-47-6
1-phenyl-3-methyl-4-acetyl-pyrazol-5-one

: 18107-18-1
diazomethyl-trimethyl-silane

: 40570-67-0
4-acetyl-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one

: 37703-82-5
1-(5-methoxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone

Guidance literature:: With tetrafluoroboric acid; In diethyl ether; hexane; at 0 ℃; for 2.5h;

Reference yield:

: 100-63-0
phenylhydrazine

: 40570-67-0
4-acetyl-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one

Guidance literature:: Multi-step reaction with 3 steps

1: toluene / 17 h / 120 °C

2: toluene; acetonitrile / 17 h / 120 °C

3: copper diacetate; dipotassium peroxodisulfate / water; methanol / 60 °C / Green chemistry

With dipotassium peroxodisulfate; copper diacetate; In methanol; water; toluene; acetonitrile;
DOI:10.1002/adsc.201800464