4'-Hydroxy Aceclofenac

Base Information

• Chemical Name: 4'-Hydroxy Aceclofenac
• CAS No.: 229308-90-1
• Molecular Formula: C₁₆H₁₃Cl₂NO₅
• Molecular Weight: 370.189
• DSSTox Substance ID: DTXSID20431711
• Nikkaji Number: J765.589D
• Wikidata: Q82245671
• Mol file: 229308-90-1.mol

Synonyms:4'-Hydroxy Aceclofenac;229308-90-1;4-Hydroxy Aceclofenac;2-[2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetyl]oxyacetic acid;Benzeneacetic acid, 2-[(2,6-dichloro-4-hydroxyphenyl)amino]-, carboxymethyl ester;4/'-Hydroxy Aceclofenac;SCHEMBL23691081;DTXSID20431711;2-[(2,6-Dichloro-4-hydroxyphenyl)amino]benzeneacetic Acid Carboxymethyl Ester;CS-T-26511;FT-0669285;J-014907

Chemical Property of 4'-Hydroxy Aceclofenac

Chemical Property:

• PSA: 95.86000
• LogP: 3.68590
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 369.0170779
• Heavy Atom Count: 24
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

4’-HydroxyAceclofenac ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl
• Uses: A metabolite of Aceclofenac

Technology Process of 4'-Hydroxy Aceclofenac

There total 1 articles about 4'-Hydroxy Aceclofenac 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:

aceclofenac (89796-99-6) → 4'-hydroxy aceclofenac (229308-90-1)

Guidance literature:

With NADPH-generating system; In acetonitrile; at 37 ℃; for 3h; pH=7.4; aq. phosphate buffer;

DOI:10.1021/ac801167w

upstream raw materials:

aceclofenac

Refernces