Robenacoxib

Base Information

Chemical Name:Robenacoxib
CAS No.:220991-32-2
Molecular Formula:C₁₆H₁₃F₄NO₂
Molecular Weight:327.278
Hs Code.:
European Community (EC) Number:684-585-3
UNII:Z588009C7C
DSSTox Substance ID:DTXSID90176607
Nikkaji Number:J3.264.829K
Wikipedia:Robenacoxib
Wikidata:Q7341121
NCI Thesaurus Code:C80565
RXCUI:1250203
Metabolomics Workbench ID:152647
ChEMBL ID:CHEMBL2107774
Mol file:220991-32-2.mol

Synonyms:robenacoxib

Suppliers and Price of Robenacoxib

Supply Marketing:

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

TRC
Robenacoxib
500mg
$ 1165.00

J&W Pharmlab
Robenacoxib 97%
100mg
$ 225.00

Alichem
2-(5-Ethyl-2-((2,3,5,6-tetrafluorophenyl)amino)phenyl)aceticacid
25g
$ 10653.00

Alichem
2-(5-Ethyl-2-((2,3,5,6-tetrafluorophenyl)amino)phenyl)aceticacid
10g
$ 6090.30

Alichem
2-(5-Ethyl-2-((2,3,5,6-tetrafluorophenyl)amino)phenyl)aceticacid
5g
$ 4341.60

Total 25 raw suppliers

Chemical Property of Robenacoxib

Chemical Property:

Vapor Pressure:1.69E-05mmHg at 25°C
Melting Point:152-155°C
Boiling Point:350.1°Cat760mmHg
PKA:4.16±0.10(Predicted)
Flash Point:165.5°C
PSA：49.33000
Density:1.407g/cm³
LogP:4.24910
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:327.08824131
Heavy Atom Count:23
Complexity:398

Purity/Quality:

97% ^*data from raw suppliers

Robenacoxib ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC(=C(C=C1)NC2=C(C(=CC(=C2F)F)F)F)CC(=O)O
Uses A novel COX-2 selective inhibitor, as a A novel COX-2 selective inhibitor, as a nonsteroidal analgesic, anti-inflammatory and antipyretic agent.

Technology Process of Robenacoxib

There total 8 articles about Robenacoxib 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: 98.7%

: 220991-61-7
N-(2’3’5’6’-tetrafluorophenyl)-5-ethylindol-2-one

: 220991-32-2
5-ethyl-2-(2',3',5',6'-tetrafluoroanilino)-phenylacetic acid

Guidance literature:: With sodium hydroxide; In ethanol; water; at 80 ℃; for 5h; Temperature; Reagent/catalyst; Solvent;

Reference yield: 91.0%

: C₁₆H₉F₄NO₂

: 220991-32-2
5-ethyl-2-(2',3',5',6'-tetrafluoroanilino)-phenylacetic acid

Guidance literature:: C₁₆H₉F₄NO₂; With sodium hydroxide; In water; toluene; at 50 ℃; for 0.333333h;

With hydrazine hydrate; In water; toluene; for 0.5h; Reflux;

With potassium hydroxide; for 1.5h; Reflux;

Reference yield:

: 2-chloro-N-(2,3,5,6-tetrafluorophenyl)-N-phenylacetamide

: 220991-32-2
5-ethyl-2-(2',3',5',6'-tetrafluoroanilino)-phenylacetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: aluminum (III) chloride / 1,2-dichloro-benzene / 6 h / 150 °C / Inert atmosphere

2: iron(III) chloride / dichloromethane / 3 h / 10 - 35 °C / Inert atmosphere

3: sodium hydroxide / water; ethanol / 5 h / 80 °C

With aluminum (III) chloride; iron(III) chloride; sodium hydroxide; In ethanol; dichloromethane; water; 1,2-dichloro-benzene;