3'-Hydroxy-4'-methoxydiclofenac

Base Information

• Chemical Name: 3'-Hydroxy-4'-methoxydiclofenac
• CAS No.: 106610-60-0
• Molecular Formula: C15H13 Cl2 N O4
• Molecular Weight: 0
• Hs Code.: 2922509090
• UNII: CY7817W711
• DSSTox Substance ID: DTXSID90147675
• Nikkaji Number: J341.704B
• Wikidata: Q27225705
• Metabolomics Workbench ID: 66928
• ChEMBL ID: CHEMBL1033
• Mol file: 106610-60-0.mol

Synonyms:3'-hydroxy-4'-methoxydiclofenac

Chemical Property of 3'-Hydroxy-4'-methoxydiclofenac

Chemical Property:

• Boiling Point: 450.2°Cat760mmHg
• Flash Point: 226.1°C
• PSA: 78.79000
• Density: 1.492g/cm³
• LogP: 4.15130
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 341.0221633
• Heavy Atom Count: 22
• Complexity: 385

Purity/Quality:

99%min ^*data from raw suppliers

3??-Hydroxy-4??-methoxydiclofenac ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1O)Cl)NC2=CC=CC=C2CC(=O)O)Cl
• Uses: 3''-Hydroxy-4''-methoxydiclofenac is a derivative of Diclofenac (Sodium Salt: D436450). Diclofenac is the first non-steroidal anti-inflammatory drug (NSAID) that is derived from phenylacetic acid. Diclofenac, like other NSAIDs, primarily works by targeting the cyclo-oxygenase pathway in the arachidonic acid cascade, reducing the formation of inflammation mediators in the body.

Technology Process of 3'-Hydroxy-4'-methoxydiclofenac

There total 4 articles about 3'-Hydroxy-4'-methoxydiclofenac 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:

[2-(3-Benzyloxy-2,6-dichloro-4-methoxy-phenylamino)-phenyl]-acetic acid (320777-22-8) → 3'-Hydroxy-4'-methoxydiclofenac (106610-60-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; for 0.416667h; under 760 Torr; Yield given; Ambient temperature;

DOI:10.1021/jm00171a008

Reference yield:

N,N-dimethyl-2-(2-vinylphenyl)acetamide (75117-26-9) → 3'-Hydroxy-4'-methoxydiclofenac (106610-60-0)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate, copper, cuprous iodide / toluene / 100 h / Heating

2: KOH / ethanol / 10 h / Heating

3: H₂ / 5percent Pd/C / tetrahydrofuran; various solvent(s) / 0.42 h / 760 Torr / Ambient temperature

With potassium hydroxide; copper(l) iodide; hydrogen; copper; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran; ethanol; toluene;

DOI:10.1021/jm00171a008

Reference yield:

3-Benzyloxy-2,6-dichloro-4-methoxy-phenylamine → 3'-Hydroxy-4'-methoxydiclofenac (106610-60-0)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate, copper, cuprous iodide / toluene / 100 h / Heating

2: KOH / ethanol / 10 h / Heating

3: H₂ / 5percent Pd/C / tetrahydrofuran; various solvent(s) / 0.42 h / 760 Torr / Ambient temperature

With potassium hydroxide; copper(l) iodide; hydrogen; copper; potassium carbonate; palladium on activated charcoal; In tetrahydrofuran; ethanol; toluene;

DOI:10.1021/jm00171a008

upstream raw materials:

[2-(3-Benzyloxy-2,6-dichloro-4-methoxy-phenylamino)-phenyl]-acetic acid

N,N-dimethyl-2-(2-vinylphenyl)acetamide

Refernces