1-(2-Methylthiazol-4-yl)ethanone

Base Information

• Chemical Name: 1-(2-Methylthiazol-4-yl)ethanone
• CAS No.: 23002-78-0
• Molecular Formula: C6H7NOS
• Molecular Weight: 141.194
• Hs Code.: 2934100090
• European Community (EC) Number: 856-513-2
• DSSTox Substance ID: DTXSID00363061
• Wikidata: Q82146613
• Mol file: 23002-78-0.mol

Synonyms:23002-78-0;1-(2-methylthiazol-4-yl)ethanone;1-(2-methyl-1,3-thiazol-4-yl)ethanone;1-(2-Methyl-thiazol-4-yl)-ethanone;1-(2-methylthiazol-4-yl)ethan-1-one;Ethanone, 1-(2-methyl-4-thiazolyl)-;1-(2-methyl-1,3-thiazol-4-yl)ethan-1-one;4-acetyl-2-methylthiazole;Ethanone,1-(2-methyl-4-thiazolyl)-;2-methyl-4-acetylthiazole;SCHEMBL2643511;DTXSID00363061;MFCD00278580;AKOS000320656;SB35634;AS-62437;A4876;CS-0005456;FT-0683975;EN300-25717;Z217164388

Chemical Property of 1-(2-Methylthiazol-4-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.0967mmHg at 25°C
• Melting Point: 56-57 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.539
• Boiling Point: 223.4 °C at 760 mmHg
• PKA: 0.91±0.10(Predicted)
• Flash Point: 88.9 °C
• PSA: 58.20000
• Density: 1.177 g/cm³
• LogP: 1.65410
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.02483502
• Heavy Atom Count: 9
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

1-(2-methyl-1,3-thiazol-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C(=O)C

Technology Process of 1-(2-Methylthiazol-4-yl)ethanone

There total 3 articles about 1-(2-Methylthiazol-4-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%

C12H19N3OS → 4-acetyl-2-methylthiazole (23002-78-0)

Guidance literature:

With selenium(IV) oxide; dihydrogen peroxide; In methanol; at 20 ℃; pH=7; aq. phosphate buffer;

DOI:10.1055/S-0029-1218352

Reference yield: 80.0%

1-(2-Methyl-thiazol-4-yl)-ethanone oxime; hydrobromide → 4-acetyl-2-methylthiazole (23002-78-0)

Guidance literature:

With formaldehyd; In water; at 95 - 100 ℃; for 0.166667h;

Reference yield: 40.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-methylthiazole-4-carbaldehyde (20949-84-2) → 4-acetyl-2-methylthiazole (23002-78-0)

Guidance literature:

In chloroform; Ambient temperature;

upstream raw materials:

diazomethane

2-methylthiazole-4-carbaldehyde

Downstream raw materials:

(2-Methyl-4-thiazolyl)acetylene