3'-Hydroxydiclofenac

Base Information Edit

Chemical Name:3'-Hydroxydiclofenac
CAS No.:69002-85-3
Molecular Formula:C14H11Cl2NO3
Molecular Weight:312.148
Hs Code.:
UNII:8489I2R79K
DSSTox Substance ID:DTXSID10219060
Nikkaji Number:J341.684D
Wikidata:Q27225706
Metabolomics Workbench ID:42551
ChEMBL ID:CHEMBL1035
Mol file:69002-85-3.mol

Synonyms:3'-Hydroxydiclofenac;69002-85-3;3'-OH DCF;CHEBI:223792;(o-(2,6-Dichloro-3-hydroxyanilino)phenyl)acetic acid;BRN 4199302;2-[2-(2,6-dichloro-3-hydroxyanilino)phenyl]acetic acid;{2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid;UNII-8489I2R79K;Benzeneacetic acid, 2-((2,6-dichloro-3-hydroxyphenyl)amino)-;8489I2R79K;Acetic acid, (o-(2,6-dichloro-3-hydroxyanilino)phenyl)-;bis(2,2,2-trichloroethyl)(trichloromethyl)phosphonate;Benzeneacetic acid, 2-[(2,6-dichloro-3-hydroxyphenyl)amino]-;Epitope ID:143245;3''''-Hydroxy-Diclofenac;CHEMBL1035;3'-HYDROXY-DICLOFENAC;SCHEMBL7169236;3''-HYDROXY-DICLOFENAC;HYDROXYDICLOFENAC, 3'-;DTXSID10219060;BDBM50228763;FT-0760952;Q27225706;2-{2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid

Suppliers and Price of 3'-Hydroxydiclofenac

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3'-HYDROXYDICLOFENAC 95.00%
5MG
$ 497.87

Total 5 raw suppliers

Chemical Property of 3'-Hydroxydiclofenac Edit

Chemical Property:

Vapor Pressure:3.86E-08mmHg at 25°C
Melting Point:159-162 °C
Boiling Point:429.5°Cat760mmHg
PKA:4.17±0.10(Predicted)
Flash Point:213.5°C
PSA：69.56000
Density:1.52g/cm³
LogP:4.14270
XLogP3:4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:311.0115986
Heavy Atom Count:20
Complexity:342

Purity/Quality:

97% ^*data from raw suppliers

3'-HYDROXYDICLOFENAC 95.00% ^*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)O)NC2=C(C=CC(=C2Cl)O)Cl
Uses 3’-Hydroxy Diclofenac is a metabolite of Diclofenac (D436450), a nonsteroidal anti-inflammatory compound and a cyclooxygenase (COX) inhibitor (1,2,3). Diclofenac exhibits anti-inflammatory, analgesic, and antipyretic properties.

Technology Process of 3'-Hydroxydiclofenac

There total 15 articles about 3'-Hydroxydiclofenac 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:

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

: 69002-85-3
3'-Hydroxydiclofenac

Guidance literature:: With glucose-6-phosphate dehydrogenase; glucose-6-phosphate; ferredoxin 8; ferredoxin-NADP⁺ reductase B; recombinant CYP₂₆₇B₁ from Sorangium cellulosum So ce56; NADPH; In ethanol; at 30 ℃; for 3h; Enzymatic reaction;
DOI:10.1124/dmd.115.068486

Reference yield:

: 15307-79-6
diclofenac sodium

: 64118-84-9
4'-hydroxydiclofenac

: 69002-85-3
3'-Hydroxydiclofenac

: 69002-84-2
2-(2-((2,6-dichlorophenyl)amino)-5-hydroxyphenyl)acetic acid

Guidance literature:: With ammonium iron (II) sulfate; ethylenediaminetetraacetic acid; 6,7-dimethyltetrahydropterin; phosphate buffer; oxygen; In water; at 20 ℃; for 2h; pH=7.4;
DOI:10.1016/j.tet.2004.03.006