1-Thiazol-5-yl-ethanone

Base Information

• Chemical Name: 1-Thiazol-5-yl-ethanone
• CAS No.: 91516-28-8
• Molecular Formula: C5H5NOS
• Molecular Weight: 127.167
• Hs Code.: 2934100090
• European Community (EC) Number: 676-194-1
• DSSTox Substance ID: DTXSID30554864
• Wikidata: Q82436042
• Mol file: 91516-28-8.mol

Synonyms:1-Thiazol-5-yl-ethanone;91516-28-8;1-(Thiazol-5-yl)ethanone;1-(1,3-thiazol-5-yl)ethanone;5-Acetylthiazole;1-(1,3-thiazol-5-yl)ethan-1-one;1-(thiazol-5-yl)ethan-1-one;1-(5-thiazolyl)ethanone;MFCD08275001;Ethanone, 1-(5-thiazolyl)-;Ethanone,1-(5-thiazolyl)- (9CI);Ethanone, 1-(5-thiazolyl)- (9CI);1-thiazol-5-ylethanone;Ethanone,1-(5-thiazolyl)-;SCHEMBL299024;DTXSID30554864;DBNLYQBYTOYCGO-UHFFFAOYSA-N;AKOS008118522;SB39884;AS-38492;AM20120324;CS-0171646;EN300-79140;A843956

Chemical Property of 1-Thiazol-5-yl-ethanone

Chemical Property:

• Vapor Pressure: 0.113mmHg at 25°C
• Melting Point: 64.5-65.5 °C
• Refractive Index: 1.545
• Boiling Point: 220.4 °C at 760 mmHg
• PKA: 0.65±0.10(Predicted)
• Flash Point: 87.1 °C
• PSA: 58.20000
• Density: 1.226 g/cm³
• LogP: 1.34570
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

1-THIAZOL-5-YL-ETHANONE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CN=CS1
• Use Description: Ethanone, 1-(5-thiazolyl)- (9CI), also known as thiazole acetone, serves various purposes across different fields. In the realm of organic chemistry and chemical synthesis, it acts as a crucial building block for the creation of diverse organic compounds, making it valuable in drug discovery and development, as well as in the synthesis of specialty chemicals. In the pharmaceutical industry, this compound may be utilized as an intermediate in the synthesis of pharmaceutical agents or as a reference compound for analytical purposes. Additionally, in academic research, thiazole acetone can serve as a substrate for investigating reaction mechanisms and conducting studies in synthetic chemistry, contributing to advancements in the field. Its multifaceted contributions underscore its significance in pharmaceuticals, chemical research, and academia, driving progress and innovation in these diverse fields.

Technology Process of 1-Thiazol-5-yl-ethanone

There total 5 articles about 1-Thiazol-5-yl-ethanone 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: 90.0%

N-methoxy-N-methyl-thiazole-5-carboxamide (898825-89-3) + methylmagnesium bromide (75-16-1) → 1-(thiazol-5-yl) ethan-1-one (91516-28-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -10 - 20 ℃; for 16.16h; Inert atmosphere;

Reference yield: 30.0%

5-(trimethylsilyl)-1,3-thiazole (79265-36-4) + acetyl chloride (75-36-5) → 1-(thiazol-5-yl) ethan-1-one (91516-28-8)

Guidance literature:

at 80 ℃; for 24h;

DOI:10.1021/jo00243a029

Reference yield:

N-methoxy-N-methyl-thiazole-5-carboxamide (898825-89-3) → 1-(thiazol-5-yl) ethan-1-one (91516-28-8)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

upstream raw materials:

thiocarboxamide

α-bromoacetoacetaldehyde

5-(trimethylsilyl)-1,3-thiazole

acetyl chloride

Downstream raw materials:

2-bromo-1-(thiazol-5-yl)ethanone

C₂₅H₁₈N₂O₄S₂

1-(thiazol-5-yl)ethan-1-amine

N-(4-(1-(6-methylpyridin-3-yl)-4-(thiazol-5-yl)-1H-imidazol-2-yl)phenyl)-3-nitropyridin-2-amine