Thiazole N-oxide

Base Information

• Chemical Name: Thiazole N-oxide
• CAS No.: 141305-44-4
• Molecular Formula: C3H3 N O S
• Molecular Weight: 101.129
• European Community (EC) Number: 634-263-3
• DSSTox Substance ID: DTXSID50569692
• Nikkaji Number: J3.033.604F
• Wikidata: Q82456893
• Mol file: 141305-44-4.mol

Synonyms:THIAZOLE N-OXIDE;141305-44-4;3-oxido-1,3-thiazol-3-ium;SCHEMBL503359;3-Oxo-1,3lambda~5~-thiazole;DTXSID50569692

Chemical Property of Thiazole N-oxide

Chemical Property:

• PSA: 53.70000
• LogP: 1.17660
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.99353489
• Heavy Atom Count: 6
• Complexity: 50.1

Purity/Quality:

Thiazole,3-oxide 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=[N+]1[O-]

Technology Process of Thiazole N-oxide

There total 1 articles about Thiazole N-oxide 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: 62.0%

1,3-thiazole (288-47-1) → thiazole 3-oxide (141305-44-4)

Guidance literature:

With phosphomolybdic acid; dihydrogen peroxide; In water; acetonitrile; at 50 ℃; for 12h;

DOI:10.1039/c4ob00115j

Reference yield: 88.0%

4-methoxycarbonylphenyl bromide (619-42-1) + thiazole 3-oxide (141305-44-4) → C11H9NO3S (1016990-31-0)

Guidance literature:

With potassium carbonate; copper(I) bromide; Trimethylacetic acid; palladium diacetate; In toluene; at 25 ℃;

DOI:10.1021/ja7107068

Reference yield: 84.0%

p-nitrobenzene iodide (636-98-6) + thiazole 3-oxide (141305-44-4) → C9H6N2O3S (1127562-79-1)

Guidance literature:

With palladium diacetate; caesium carbonate; copper(I) bromide; 2′-(diphenylphosphino)-N,N′-dimethyl-(1,1′-biphenyl)-2-amine; In toluene; at 25 ℃; Inert atmosphere;

upstream raw materials:

1,3-thiazole

Downstream raw materials:

2-chlorothiazole

5-thiazolyl chloride

4-chlorothiazole

C₁₀H₉NO₂S

Refernces

• 1、 Larionov, Oleg V.,Stephens, David,Mfuh, Adelphe M.,Arman, Hadi D.,Naumova, Anastasia S.,Chavez, Gabriel,Skenderi, Behije. "Insights into the mechanistic and synthetic aspects of the Mo/P-catalyzed oxidation of N-heterocycles". . p. 3026 - 3036. Retrieved 2014/05/06.
• 2、 Campeau, Louis-Charles,Bertrand-Laperle, Megan,Leclerc, Jean-Philippe,Villemure, Elisia,Gorelsky, Serge,Fagnou, Keith. "C2, C5, and C4 azole N-oxide direct arylation including room-temperature reactions". . p. 3276 - 3277. Retrieved 2008/10/09.