2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide

Base Information

• Chemical Name: 2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide
• CAS No.: 93501-51-0
• Molecular Formula: C₁₄H₁₀F₃N₃O₂S
• Molecular Weight: 341.314
• DSSTox Substance ID: DTXSID40918372
• Wikidata: Q27210417
• ChEMBL ID: CHEMBL1372579
• Mol file: 93501-51-0.mol

Synonyms:93501-51-0;BRN 4559411;2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide;5-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-;5-oxo-N-[3-(trifluoromethyl)phenyl]-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;MLS000100960;CHEMBL1372579;DTXSID40918372;CHEBI:121834;HMS2253C15;AKOS001377367;5-oxo-N-(3-(trifluoromethyl)phenyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide;UPCMLD0ENAT5766827:001;SMR000015872;LS-152100;EU-0020468;AB00433621-03;SR-01000544071;SR-01000544071-1;Q27210417;Z56691892;F0550-0080;5-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide;5-Oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboximidic acid

Chemical Property of 2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 341.04458223
• Heavy Atom Count: 23
• Complexity: 588

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC2=NC=C(C(=O)N21)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Technology Process of 2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide

There total 3 articles about 2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide 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:

ethyl 5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]-pyrimidine-6-carboxylate (32084-53-0) → 5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (3-trifluoromethyl-phenyl)-amide (93501-51-0)

Guidance literature:

Multi-step reaction with 3 steps

1: methanesulphonic acid / formic acid

2: thionyl chloride / 4 h / Heating

3: pyridine / 1.) 0 deg C, 2.) room temperature

With pyridine; thionyl chloride; methanesulfonic acid; In formic acid;

Reference yield:

2,3-dihydro-5(H)-oxothiazolo<3,2-a>pyrimidine-6-carboxylic acid (32084-55-2) → 5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (3-trifluoromethyl-phenyl)-amide (93501-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 4 h / Heating

2: pyridine / 1.) 0 deg C, 2.) room temperature

With pyridine; thionyl chloride;

Reference yield:

3-trifluoromethylaniline (98-16-8) + 5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carbonyl chloride (93501-41-8) → 5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (3-trifluoromethyl-phenyl)-amide (93501-51-0)

Guidance literature:

With pyridine; Yield given; 1.) 0 deg C, 2.) room temperature;

upstream raw materials:

3-trifluoromethylaniline

5-Oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carbonyl chloride

2,3-dihydro-5(H)-oxothiazolo<3,2-a>pyrimidine-6-carboxylic acid

ethyl 5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]-pyrimidine-6-carboxylate