2-[(Tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Base Information

Chemical Name:2-[(Tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CAS No.:302963-97-9
Molecular Formula:C10H11 F3 N2 O4 S
Molecular Weight:312.27
Hs Code.:
DSSTox Substance ID:DTXSID70698332
Wikidata:Q82628514
Mol file:302963-97-9.mol

Synonyms:302963-97-9;2-[(TERT-BUTOXYCARBONYL)AMINO]-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID;SCHEMBL3748422;DTXSID70698332;EN300-336150;2-tert-Butoxycarbonylamino-4-trifluoromethyl-thiazole-5-carboxylic acid;2-tert-butyloxycarbonylamino-4-trifluoromethylthiazole-5-carboxylic acid;2-[(TERT-BUTOXYCARBONYL)AMINO]-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLICACID;2-{[(tert-butoxy)carbonyl]amino}-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Suppliers and Price of 2-[(Tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-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

American Custom Chemicals Corporation
2-[(TERT-BUTOXYCARBONYL)AMINO]-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID 95.00%
5MG
$ 497.23

Total 1 raw suppliers

Chemical Property of 2-[(Tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

Chemical Property:

PSA：120.25000
LogP:3.22070
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:312.03916250
Heavy Atom Count:20
Complexity:397

Purity/Quality:: 2-[(TERT-BUTOXYCARBONYL)AMINO]-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1=NC(=C(S1)C(=O)O)C(F)(F)F

Technology Process of 2-[(Tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

There total 3 articles about 2-[(Tert-butoxycarbonyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-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%

: 302963-96-8
2-((tert-butoxycarbonyl)amino)-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester

: 302963-97-9
2-tert-butoxycarbonyloxyamino-4-trifluoromethyl-thiazole-5-carboxylic acid

Guidance literature:: 2-((tert-butoxycarbonyl)amino)-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester; With water; potassium hydroxide; In tetrahydrofuran; ethanol; at 25 - 60 ℃; for 20h;

With hydrogenchloride; In tetrahydrofuran; ethanol; water; at 0 ℃; pH=1;

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 302963-97-9
2-tert-butoxycarbonyloxyamino-4-trifluoromethyl-thiazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: DMAP / tetrahydrofuran

2: aq. NaOH / methanol

With dmap; sodium hydroxide; In tetrahydrofuran; methanol;
DOI:10.1016/j.bmcl.2003.08.054

Reference yield:

: 344-72-9
ethyl 2-amino-4-(trifluoromethyl)-5-thiazole-carboxylate

: 302963-97-9
2-tert-butoxycarbonyloxyamino-4-trifluoromethyl-thiazole-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: DMAP / tetrahydrofuran

2: aq. NaOH / methanol

With dmap; sodium hydroxide; In tetrahydrofuran; methanol;
DOI:10.1016/j.bmcl.2003.08.054