1-Methyl-2,5-diphenyl-4-pyrazoline-3-one

Base Information

Chemical Name:1-Methyl-2,5-diphenyl-4-pyrazoline-3-one
CAS No.:6632-12-8
Molecular Formula:C16H14N2O
Molecular Weight:250.3
Hs Code.:2933199090
NSC Number:57972
DSSTox Substance ID:DTXSID80288884
Nikkaji Number:J81.254D
Wikidata:Q82026017
ChEMBL ID:CHEMBL1730137
Mol file:6632-12-8.mol

Synonyms:MLS002667937;6632-12-8;NSC57972;CHEMBL1730137;SCHEMBL11071487;DTXSID80288884;HMS3089E03;NSC-57972;SMR001557693

Suppliers and Price of 1-Methyl-2,5-diphenyl-4-pyrazoline-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

Total 5 raw suppliers

Chemical Property of 1-Methyl-2,5-diphenyl-4-pyrazoline-3-one

Chemical Property:

Vapor Pressure:2.79E-06mmHg at 25°C
Boiling Point:389.7°C at 760 mmHg
Flash Point:170.1°C
PSA：26.93000
Density:1.209g/cm³
LogP:2.84300
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:250.110613074
Heavy Atom Count:19
Complexity:365

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=CC(=O)N1C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 1-Methyl-2,5-diphenyl-4-pyrazoline-3-one

There total 9 articles about 1-Methyl-2,5-diphenyl-4-pyrazoline-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: 82.6%

: 6632-05-9
2,5-diphenyl-1,2-dihydro-pyrazol-3-one

: 74-88-4
methyl iodide

: 6632-12-8
1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one

Guidance literature:: With acetic acid; In N,N-dimethyl-formamide; at 100 ℃; for 15h; Sealed tube;

Reference yield:

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 100-63-0
phenylhydrazine

: 74-88-4
methyl iodide

: 6632-12-8
1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one

Guidance literature:: ethyl 3-oxo-3-phenylpropionate; phenylhydrazine; In toluene; at 120 ℃; for 17h; Sealed tube; Molecular sieve; Darkness;

methyl iodide; In toluene; acetonitrile; at 120 ℃; for 17h; Sealed tube; Darkness;
DOI:10.3762/bjoc.9.240

Reference yield:

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 6632-12-8
1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: toluene / 17 h / 120 °C / Molecular sieve; Darkness; Sealed tube

2: acetonitrile / 17 h / 120 °C / Darkness; Sealed tube

In toluene; acetonitrile;
DOI:10.1002/ejoc.201300765