2,4-Dimethyl-3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium bromide

Base Information

• Chemical Name: 2,4-Dimethyl-3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium bromide
• CAS No.: 6274-04-0
• Molecular Formula: C13H14 N O S . Br
• Molecular Weight: 232.3208
• ChEMBL ID: CHEMBL1904253
• DSSTox Substance ID: DTXSID50528385
• NSC Number: 35699

Synonyms:6274-04-0;MLS001180467;SCHEMBL6010154;CHEMBL1904253;DTXSID50528385;GHWIEACTBNWNCZ-UHFFFAOYSA-M;HMS2844P03;NSC35699;NSC-35699;2,4-DIMETHYL-3-(2-OXO-2-PHENYLETHYL)-1,3-THIAZOL-3-IUM BROMIDE;SMR000477828;2,4-Dimethyl-3-(2-oxo-2-phenylethyl)thiazolium bromide

Chemical Property of 2,4-Dimethyl-3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 310.99795
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=[N+]1CC(=O)C2=CC=CC=C2)C.[Br-]

Technology Process of 2,4-Dimethyl-3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium bromide

There total 1 articles about 2,4-Dimethyl-3-(2-oxo-2-phenylethyl)-1,3-thiazol-3-ium bromide 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: 83.0%

2,4-dimethylthiazole (541-58-2) + α-bromoacetophenone (70-11-1) → 2,4-dimethyl-3-phenacylthiazolium bromide (6274-04-0)

Guidance literature:

at 50 ℃; for 5h;

Reference yield: 71.0%

2,4-dimethyl-3-phenacylthiazolium bromide (6274-04-0) → pyrrolothiazole (833-49-8)

Guidance literature:

With triethylamine; In ethanol; for 3h; Heating;

Reference yield: 70.0%

1,2-bis-(3-nitrophenyl)ethane-1,2-dione (5913-06-4) + 2,4-dimethyl-3-phenacylthiazolium bromide (6274-04-0) → 3-Methyl-6,7-bis-(3-nitro-phenyl)-thiazolo[3,2-a]pyridin-4-ylium; bromide (110209-15-9)

Guidance literature:

With triethylamine; In acetone; for 1h; Ambient temperature;

upstream raw materials:

2,4-dimethylthiazole

α-bromoacetophenone

Downstream raw materials:

pyrrolothiazole

3-Methyl-6,7-bis-(3-nitro-phenyl)-thiazolo[3,2-a]pyridin-4-ylium; bromide

3-Methyl-6,7-diphenyl-thiazolo[3,2-a]pyridin-4-ylium; bromide

7-Benzoyl-8-methyl-10-thia-7a-azonia-cyclopenta[k]fluoranthene; bromide

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