Diclofenac

Base Information

• Chemical Name: Diclofenac
• CAS No.: 15307-86-5
• Molecular Formula: C14H11Cl2NO2
• Molecular Weight: 296.153
• Hs Code.: 2942000000
• European Community (EC) Number: 239-348-5
• UNII: 144O8QL0L1
• DSSTox Substance ID: DTXSID6022923
• Nikkaji Number: J8.557J
• Wikipedia: Diclofenac
• Wikidata: Q244408
• NCI Thesaurus Code: C28985
• RXCUI: 3355
• Pharos Ligand ID: MUDSKU2U2VCB
• Metabolomics Workbench ID: 42917
• ChEMBL ID: CHEMBL139
• Mol file: 15307-86-5.mol

Synonyms:Dichlofenal;Diclofenac;Diclofenac Potassium;Diclofenac Sodium;Diclofenac, Sodium;Diclonate P;Diclophenac;Dicrofenac;Feloran;GP 45,840;GP-45,840;GP45,840;Novapirina;Orthofen;Orthophen;Ortofen;Sodium Diclofenac;SR 38;SR-38;SR38;Voltaren;Voltarol

Chemical Property of Diclofenac

Chemical Property:

• Appearance/Colour: White to yellowish crystalline powder
• Vapor Pressure: 1.07E-09mmHg at 25°C
• Melting Point: 156-158oC
• Refractive Index: 1.66
• Boiling Point: 412 ºC at 760 mmHg
• PKA: pKa 4 (Uncertain)
• Flash Point: 203 ºC
• PSA: 49.33000
• Density: 1.431 g/cm³
• LogP: 4.43710
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• Water Solubility.: 1.278mg/L(30 oC)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 295.0166840
• Heavy Atom Count: 19
• Complexity: 304

Purity/Quality:

99%min ^*data from raw suppliers

DiclofenacAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Nonsteroidal Antiinflammatory Drugs
• Canonical SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
• Recent ClinicalTrials: Topical Treatment for TMJ Arthralgia
• Recent EU Clinical Trials: Steroids and Non-steroidal Anti-inflammatory drugs in the Postoperative regime after trabeculectomy. An investigator-initiated randomized study (The SNAP study)
• Recent NIPH Clinical Trials: A clinical pharmacological study of HP-3150 in patients with low back pain
• General Description: 1-(2,6-Dichlorophenyl)-2-indolinone, also known as diclofenac, is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties. It is commonly used to treat pain and inflammation in conditions such as arthritis. 1-(2,6-Dichlorophenyl)-2-indolinone forms organotin complexes when reacted with diorganotin(IV) oxides, as demonstrated in spectroscopic studies, which reveal its potential for coordination chemistry and pharmacological applications due to its structural versatility and biological activity.

Technology Process of Diclofenac

There total 38 articles about Diclofenac 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: 100.0%

[2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid diethylcarbamoylmethylcarbamoyloxymethyl ester (934548-15-9) → 2-amino-N,N-diethylacetamide (34105-57-2) + [2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5)

Guidance literature:

With human plasma; In phosphate buffer; at 37 ℃; pH=7.4;

DOI:10.1002/ardp.200600145

Reference yield: 100.0%

[2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid 1-diethylcarbamoyl-2-phenyl-ethylcarbamoyloxymethyl ester (934548-16-0) → [2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5) + N-(phenylalanyl)-N,N-diethylamine (40847-09-4)

Guidance literature:

With human plasma; In phosphate buffer; at 37 ℃; pH=7.4;

DOI:10.1002/ardp.200600145

Reference yield: 95.0%

2,6-Dichlorophenol (87-65-0) + methyl 2-(2-(2-bromopropionamido)phenyl)acetate → [2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 60 - 100 ℃; for 8h; Temperature; Reagent/catalyst;

upstream raw materials:

diclofenac sodium

2-<(2,6-Dichlorphenacyl)amino>phenylessigsaeure-2-oxopropylester

2-<(2,6-dichlorophenyl)amino>-α-(methylthio)phenylacetic acid

aceclofenac

Downstream raw materials:

acetic acid N-oxysuccinimide ester

[2-(2,6-Dichloro-phenylamino)-phenyl]-acetic acid; compound with (S)-2,6-diamino-hexanoic acid

[2-(2,6-Dichloro-phenylamino)-phenyl]-acetic acid; compound with (S)-2-amino-5-guanidino-pentanoic acid

5-<<<(2,6-dichlorophenyl)amino>phenyl>acetylamino>-salicylic acid methyl ester

Refernces

Preparations and spectroscopic studies of organotin complexes of diclofenac

10.1016/j.saa.2003.11.027

The research investigates the synthesis and characterization of organotin complexes derived from the anti-inflammatory drug diclofenac. The study involves the reaction of diclofenac with diorganotin(IV) oxides, resulting in the formation of various organotin complexes such as [Me2LSnOSnLMe2]2, [Bu2LSnOSnLBu2]2, [Ph2LSnOSnLPh2]2, and [Bu2SnL2]. These complexes were characterized using vibrational spectroscopy, 1H and 13C NMR spectroscopy, and 119Sn M?ssbauer spectroscopy. The research aims to explore the structural and dynamic properties of these organotin/diclofenac compounds, which have potential applications in pharmacology due to the biological activity of both diclofenac and organotin carboxylates. The findings provide insights into the coordination modes and molecular structures of these complexes, contributing to the understanding of their potential therapeutic and industrial uses.