Alminoprofen

Base Information

• Chemical Name: Alminoprofen
• CAS No.: 39718-89-3
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.283
• European Community (EC) Number: 254-604-6,275-648-2
• UNII: 0255AHR9GJ
• DSSTox Substance ID: DTXSID90865968
• Nikkaji Number: J16.728B,J71.057A,J71.058J
• Wikipedia: Alminoprofen
• Wikidata: Q3612806
• NCI Thesaurus Code: C73070
• Metabolomics Workbench ID: 154132
• ChEMBL ID: CHEMBL1765293
• Mol file: 39718-89-3.mol

Synonyms:2-(4-((2-methyl-2-propenyl)amino)phenyl)propionic acid;2-(4-methylallylaminophenyl)propionic acid;alminoprofen;alminoprofen, (+-)-isomer;EB 382;EB-382;Minalfène

Chemical Property of Alminoprofen

Chemical Property:

• Vapor Pressure: 3.15E-06mmHg at 25°C
• Melting Point: 107°
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 373.1°Cat760mmHg
• PKA: 4.86±0.50(Predicted)
• Flash Point: 179.4°C
• PSA: 49.33000
• Density: 1.107g/cm³
• LogP: 2.93570
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

98%min ^*data from raw suppliers

racAlminoprofen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)O
• Description: Alminoprofen is an arylpropionic acid analgesic/antiinflammatory agent indicated for the short term management of dental, traumatic and postpartum pain.
• Uses: Alminoprofen is a nonsteroidal antiinflammatory drugs (NSAID) of the phenylpropionic acid class. Alminoprofen maybe a useful therapeutic option in the management of immune dysfunction in rheumatoid ar thritis.
• Therapeutic Function: Analgesic, Antiinflammatory

Technology Process of Alminoprofen

There total 2 articles about Alminoprofen 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:

→ alminoprofen (39718-89-3,54362-71-9,71589-39-4)

Guidance literature:

Amin durch Alkyl.;

Reference yield:

2-(4-cyano-phenyl)-propionic acid (362052-00-4) → alminoprofen (39718-89-3,54362-71-9,71589-39-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: diazomethyl-trimethyl-silane / toluene / 2 h / 20 °C

2.1: hydroxylamine / water monomer; ethanol / 3 h / Reflux

2.2: 16 h / 0 - 20 °C

3.1: potassium carbonate / ethanol / 20 °C

4.1: sodium hydroxide / ethylene glycol / 1 h / 130 °C / Schlenk technique

With hydroxylamine; potassium carbonate; sodium hydroxide; diazomethyl-trimethyl-silane; In ethanol; water monomer; ethylene glycol; toluene;

DOI:10.1021/jacs.1c12463

upstream raw materials:

2-(4-cyano-phenyl)-propionic acid

Refernces

• 1、 -. "Leukotriene biosynthesis inhibitors". . . Retrieved 2008/06/13.