2-Hydroxyfebuxostat

Base Information

Chemical Name:2-Hydroxyfebuxostat
CAS No.:407582-47-2
Molecular Formula:C16H16N2O4S
Molecular Weight:332.37400
Hs Code.:
UNII:L8Q1USE6C2
Nikkaji Number:J3.359.913G
Wikidata:Q27895178
Mol file:407582-47-2.mol

Synonyms:2-Hydroxyfebuxostat;407582-47-2;L8Q1USE6C2;Febuxostat (67m-2);UNII-L8Q1USE6C2;67M-2;2-(3-Cyano-4-(2-hydroxy-2-methylpropoxy)phenyl)-4-methyl-5-thiazolecarboxylic acid;2-[3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid;5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl)-4-methyl-;Febuxostat metabolite 67M-2;SCHEMBL439998;Q27895178;2-[3-Cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid

Suppliers and Price of 2-Hydroxyfebuxostat

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
Febuxostat67M-2
20mg
$ 125.00

Total 5 raw suppliers

Chemical Property of 2-Hydroxyfebuxostat

Chemical Property:

PSA：131.68000
LogP:2.83808
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:332.08307817
Heavy Atom Count:23
Complexity:490

Purity/Quality:

99% ^*data from raw suppliers

Febuxostat67M-2 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)(C)O)C#N)C(=O)O
Uses Febuxostat 67M-2 is a derivative compound of Febuxostat 67M-1 (F229005) which is an inhibitor of xanthine oxidase. It reduces uric acid production in the body and also used to reduce the risk of gout or kidney stone formation.

Technology Process of 2-Hydroxyfebuxostat

There total 6 articles about 2-Hydroxyfebuxostat 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: 90.0%

: ethyl 2-[3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylate

: 407582-47-2
2-[3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid

Guidance literature:: With water; sodium hydroxide; In tetrahydrofuran; ethanol; at 60 ℃; for 1.5h;
DOI:10.2174/1570178612666150108000805

Reference yield:

: 161798-02-3
ethyl-2-(3-cyano-4-hydroxy phenyl)-4-methyl thiozole-5-carboxylate

: 407582-47-2
2-[3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate; sodium dihydrogenphosphate / water; acetonitrile / 12 h / 150 °C / Sealed tube

2: sodium hydroxide; water / ethanol; tetrahydrofuran / 1.5 h / 60 °C

With sodium dihydrogenphosphate; water; potassium carbonate; sodium hydroxide; In tetrahydrofuran; ethanol; water; acetonitrile;
DOI:10.2174/1570178612666150108000805

Reference yield:

: 25984-63-8
4-hydroxythiobenzamide

: 407582-47-2
2-[3-cyano-4-(2-hydroxy-2-methylpropoxy)phenyl]-4-methylthiazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 5 steps

1: ethanol / Reflux

2: phosphorus pentoxide

3: hydroxylamine hydrochloride; sodium acetate; formic acid

4: potassium carbonate; sodium dihydrogenphosphate / water; acetonitrile / 12 h / 150 °C / Sealed tube

5: sodium hydroxide; water / ethanol; tetrahydrofuran / 1.5 h / 60 °C

With sodium dihydrogenphosphate; formic acid; phosphorus pentoxide; hydroxylamine hydrochloride; water; sodium acetate; potassium carbonate; sodium hydroxide; In tetrahydrofuran; ethanol; water; acetonitrile;
DOI:10.2174/1570178612666150108000805