2-Acetyl-4-methylthiazole

Base Information

• Chemical Name: 2-Acetyl-4-methylthiazole
• CAS No.: 7533-07-5
• Molecular Formula: C6H7NOS
• Molecular Weight: 141.194
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20415955
• Nikkaji Number: J346.160B
• Wikidata: Q82225049
• ChEMBL ID: CHEMBL5197991
• Mol file: 7533-07-5.mol

Synonyms:1-(4-Methylthiazol-2-yl)ethanone;2-Acetyl-4-methylthiazole;7533-07-5;1-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(4-METHYL-1,3-THIAZOL-2-YL)ETHAN-1-ONE;Ethanone, 1-(4-methyl-2-thiazolyl)-;4-methyl-2-acetylthiazole;2-Acetyl-4-methylthiazol;SCHEMBL929092;CHEMBL5197991;DTXSID20415955;2-Acetyl-4-methylthiazole, 97%;MFCD07369793;1-(4-Methyl-thiazol-2-yl)-ethanone;AKOS012685824;AB32246;2-ACETYL-4-METHYLTHIAZOLE,97%;AS-40885;CS-0204369;EN300-131840;InChI=1/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H

Chemical Property of 2-Acetyl-4-methylthiazole

Chemical Property:

• Vapor Pressure: 0.0544mmHg at 25°C
• Melting Point: 34-38oC(lit.)
• Boiling Point: 233.9oC at 760 mmHg
• Flash Point: 90oC
• PSA: 58.20000
• Density: 1.177g/cm3
• LogP: 1.65410
• 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:

98%,99%, ^*data from raw suppliers

2-Acetyl-4-methylthiazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CSC(=N1)C(=O)C

Technology Process of 2-Acetyl-4-methylthiazole

There total 7 articles about 2-Acetyl-4-methylthiazole 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: 85.0%

4-Methylthiazole (693-95-8) + N-Methoxy-N-methylacetamide (78191-00-1) → 1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one (7533-07-5)

Guidance literature:

4-Methylthiazole; With n-butyllithium; In diethyl ether; pentane; at -78 ℃; for 1.5h;

N-Methoxy-N-methylacetamide; In diethyl ether; pentane; at -78 ℃; for 1.16667h;

Reference yield: 74.0%

3-Acetonyl-4-methyl-1,3-thiazolium chloride (142941-95-5) → 1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one (7533-07-5)

Guidance literature:

With sodium hydroxide; In methanol; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81227-8

Reference yield: 74.0%

4-formyl-2,5-dimethyl-1,4-thiazine (142731-30-4) → 1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one (7533-07-5)

Guidance literature:

With sodium hydroxide; In methanol; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81227-8

upstream raw materials:

4-Methylthiazole

ethylmagnesium bromide

4-formyl-2,5-dimethyl-1,4-thiazine

2-hydroxy-4-formyl-2,5-dimethyl-2,3-dihydro-1,4-thiazine

Downstream raw materials:

2-ethyl-4-methyl-1,3-thiazole

2-[1-(hydroxyimino)ethyl]-4-methyl-thiazole

2-[1-(hydroxyimino)ethyl]-4-methyl-thiazole

2-bromo-1-(4-methyl-thiazol-2-yl)-ethanone

Refernces

• 1、 -. "6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR". Page/Page column 91. . Retrieved 2015/05/06.
• 2、 -. "THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES". Page 60; 77. . Retrieved 2010/02/08.