4-Formylaminoantipyrine

Base Information

• Chemical Name: 4-Formylaminoantipyrine
• CAS No.: 1672-58-8
• Molecular Formula: C12H13 N3 O2
• Molecular Weight: 231.254
• Hs Code.: 2933199090
• European Community (EC) Number: 216-808-3
• NSC Number: 60565
• UNII: 63DKU1M0XK
• DSSTox Substance ID: DTXSID10168241
• Nikkaji Number: J61.595A
• Wikidata: Q27156916
• Mol file: 1672-58-8.mol

Synonyms:4-formylaminoantipyrine

Chemical Property of 4-Formylaminoantipyrine

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Melting Point: 189-192?C
• Boiling Point: 400.1°Cat760mmHg
• PKA: 12.72±0.20(Predicted)
• Flash Point: 195.8°C
• PSA: 56.03000
• Density: 1.29g/cm³
• LogP: 1.76160
• Storage Temp.: Refrigerator
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

4-FormylaminoAntipyrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O
• Uses: A metabolite of Dipyrone, a nonsteroidal anti-inflammatory drug.

Technology Process of 4-Formylaminoantipyrine

There total 117 articles about 4-Formylaminoantipyrine 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: 96.0%

(Z)-9-tetradecen-1-ol (35153-15-2) + acetic anhydride (108-24-7) → (Z)-9-tetradecen-1-yl acetate (16725-53-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere; Schlenk technique; Cooling with ice;

Reference yield: 93.0%

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-formylaminoantipyrine (1672-58-8)

Guidance literature:

With Iron(III) nitrate nonahydrate; In toluene; for 12h; Reflux;

DOI:10.1021/jo500562w

Reference yield: 80.0%

(Z)-1-(2-Tetrahydropyranyloxy)-9-tetradecene (71612-09-4,61405-40-1) → (Z)-9-tetradecen-1-yl acetate (16725-53-4)

Guidance literature:

With acetic acid; acetyl chloride; at 35 - 40 ℃;

upstream raw materials:

formic acid

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

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

formamide

Downstream raw materials:

4-{[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-formyl-amino]-methyl}-4-methyl-morpholin-4-ium; iodide

Refernces

• 1、 Lopez-Munoz, Francisco Javier,Soria-Arteche, Olivia,Lopez, Jose Raul Medina,Hurtado Y De La Pena, Marcela,Garcia, Ma. Concepcion Lozada,Moreno-Rocha, Luis Alfonso,Dominguez-Ramirez, Adriana Miriam. "Antinociceptive activity of metamizol metabolites in a rat model of arthritic pain". . p. 332 - 338. Retrieved 2013.
• 2、 Bachmann, Fabio,Duthaler, Urs,Meyer zu Schwabedissen, Henriette E.,Kr?henbühl, Stephan. "Cytochrome P450 1A2 is the most important enzyme for hepatic metabolism of the metamizole metabolite 4-methylaminoantipyrine". . . Retrieved 2021/11/10.
• 3、 -. "SYNTHESIS OF PHEROMONE DERIVATIVES VIA Z-SELECTIVE OLEFIN METATHESIS". Paragraph 0261; 0266. . Retrieved 2021/12/28.