Propyphenazone

Base Information

• Chemical Name: Propyphenazone
• CAS No.: 479-92-5
• Deprecated CAS: 128065-64-5,88205-06-5,12542-35-7,12542-35-7,88205-06-5
• Molecular Formula: C14H18N2O
• Molecular Weight: 230.31
• Hs Code.: 2933110000
• European Community (EC) Number: 207-539-2
• UNII: OED8FV75PY
• DSSTox Substance ID: DTXSID6023529
• Nikkaji Number: J825G
• Wikipedia: Propyphenazone
• Wikidata: Q425111
• NCI Thesaurus Code: C72124
• Pharos Ligand ID: 5ZRND8GCS7SV
• Metabolomics Workbench ID: 66899
• ChEMBL ID: CHEMBL28318
• Mol file: 479-92-5.mol

Synonyms:4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazoline-5-one;4-isopropylantipyrine;Commotional;Demex;Hewedolor propy;Isoprochin P;isopropylphenazone;propylphenazone;propyphenazone

Chemical Property of Propyphenazone

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.000347mmHg at 25°C
• Melting Point: 102-105 °C
• Refractive Index: 1.555
• Boiling Point: 319 °C at 760 mmHg
• PKA: 1.46±0.65(Predicted)
• Flash Point: 123.8 °C
• PSA: 26.93000
• Density: 1.081 g/cm³
• LogP: 2.60780
• Storage Temp.: Refrigerator
• Solubility.: Slightly soluble in water, freely soluble in ethanol (96 per cent) and in methylene chloride.
• Water Solubility.: 743.6g/L(25.35 oC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 230.141913202
• Heavy Atom Count: 17
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

Propyphenazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
• Recent EU Clinical Trials: A double-blind, active-controlled, randomized, multicenter, parallel-group 2 day comparison of 1000 mg propyphenazone / 80 mg codeine (applied as two suppositories) combination therapy versus a 1000 mg propyphenazone monotherapy (applied as two suppositories) in terms of safety and efficacy in patients suffering from urogenital or biliary pain
• Description: This uncharacterized alkaloid has been described by Hartsen as occurring in Iso_x0002_pyrum thalictroides L. No chemical or physical characteristics are known.

Technology Process of Propyphenazone

There total 1 articles about Propyphenazone 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:

4-isopropyl-3-methyl-1-phenylpyrazol-5-one (50993-68-5) + dimethyl sulfate (77-78-1) → propyphenazone (479-92-5)

Guidance literature:

Reference yield: 94.0%

propyphenazone (479-92-5) → 5-(bromomethyl)-4-isopropyl-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one (53616-28-7)

Guidance literature:

With bromine; In 1,4-dioxane; dichloromethane; Cooling with ice;

DOI:10.1021/ml500156v

Reference yield: 94.0%

propyphenazone (479-92-5) → 3-Methyl-2-oxo-butansaeure-2'-acetyl-2'-methyl-1'-phenylhydrazid

Guidance literature:

With sodium periodate; In methanol; water; for 24h; Ambient temperature;

DOI:10.1002/ardp.19883210912

upstream raw materials:

4-isopropyl-3-methyl-1-phenylpyrazol-5-one

dimethyl sulfate

Downstream raw materials:

1,3,5-trinitrobenzene

1-Methyl-2-ONN-azoxy-(2,4-dinitro)-benzol

3-Methyl-1-phenyl-2-pyrazoline-4,5-dione

1-acetyl-1-methyl-2-phenylhydrazine