5-(Trifluoromethyl)-1,2-oxazole-3-carboxylic acid

Base Information

Chemical Name:5-(Trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CAS No.:625120-14-1
Molecular Formula:C₅H₂F₃NO₃
Molecular Weight:181.071
Hs Code.:
European Community (EC) Number:816-862-3
DSSTox Substance ID:DTXSID501246133

Synonyms:625120-14-1;5-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid;5-(trifluoromethyl)isoxazole-3-carboxylic acid;5-(trifluoromethyl)-3-Isoxazolecarboxylic acid;3-Isoxazolecarboxylic acid, 5-(trifluoromethyl)-;SCHEMBL6371376;AMY2027;DTXSID501246133;AKOS022706705;DB-095074;CS-0434090;5-(trifluoromethyl)isoxazole-3-carboxylicacid;EN300-196445;F53474;F1913-0310;Z1262556637

Suppliers and Price of 5-(Trifluoromethyl)-1,2-oxazole-3-carboxylic acid

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
5-(Trifluoromethyl)isoxazole-3-carboxylicacid
2.5mg
$ 65.00

TRC
5-(Trifluoromethyl)isoxazole-3-carboxylicacid
25mg
$ 350.00

Crysdot
5-(Trifluoromethyl)isoxazole-3-carboxylicacid 95+%
250mg
$ 950.00

Crysdot
5-(Trifluoromethyl)isoxazole-3-carboxylicacid 95+%
100mg
$ 678.00

AK Scientific
5-(Trifluoromethyl)-1,2-oxazole-3-carboxylicacid
5g
$ 5693.00

AK Scientific
5-(Trifluoromethyl)-1,2-oxazole-3-carboxylicacid
1mg
$ 255.00

Total 6 raw suppliers

Chemical Property of 5-(Trifluoromethyl)-1,2-oxazole-3-carboxylic acid

Chemical Property:

PSA：63.33000
LogP:1.39160
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:180.99867741
Heavy Atom Count:12
Complexity:193

Purity/Quality:

97% ^*data from raw suppliers

5-(Trifluoromethyl)isoxazole-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=C(ON=C1C(=O)O)C(F)(F)F

Technology Process of 5-(Trifluoromethyl)-1,2-oxazole-3-carboxylic acid

There total 5 articles about 5-(Trifluoromethyl)-1,2-oxazole-3-carboxylic acid 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: 100.0%

: 625120-13-0
ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

: 625120-14-1
5-(trifluoromethyl)isoxazole-3-carboxylic acid

Guidance literature:: With sodium hydroxide; In methanol; water monomer; at 15 - 25 ℃; for 1h;

Reference yield: 84.0%

: 172031-94-6
[5-(trifluoromethyl)isoxazol-3-yl]methanol

: 625120-14-1
5-(trifluoromethyl)isoxazole-3-carboxylic acid

Guidance literature:: With chromium(VI) oxide; sulfuric acid; In water; acetone; at 0 ℃;
DOI:10.1021/acs.joc.9b02258

Reference yield:

: 3-(((tert-butyldimethylsilyl)oxy)methyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol

: 625120-14-1
5-(trifluoromethyl)isoxazole-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1,1'-carbonyldiimidazole / dichloromethane

2: potassium hydrogen difluoride / water; methanol

3: chromium(VI) oxide; sulfuric acid / water; acetone / 0 °C

With chromium(VI) oxide; potassium hydrogen difluoride; sulfuric acid; 1,1'-carbonyldiimidazole; In methanol; dichloromethane; water; acetone;
DOI:10.1021/acs.joc.9b02258