1-(4,5-Dihydro-1,3-thiazol-2-yl)propan-2-one

Base Information

• Chemical Name: 1-(4,5-Dihydro-1,3-thiazol-2-yl)propan-2-one
• CAS No.: 97855-56-6
• Molecular Formula: C₆H₉NOS
• Molecular Weight: 143.21
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID10540280
• Wikidata: Q82416227
• Mol file: 97855-56-6.mol

Synonyms:97855-56-6;1-(4,5-Dihydro-1,3-thiazol-2-yl)propan-2-one;SCHEMBL11121208;DTXSID10540280

Chemical Property of 1-(4,5-Dihydro-1,3-thiazol-2-yl)propan-2-one

Chemical Property:

• PSA: 54.73000
• LogP: 0.54640
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.04048508
• Heavy Atom Count: 9
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=NCCS1

Technology Process of 1-(4,5-Dihydro-1,3-thiazol-2-yl)propan-2-one

There total 5 articles about 1-(4,5-Dihydro-1,3-thiazol-2-yl)propan-2-one 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:

2-methyl-4,5-dihydro-thiazole (2346-00-1) → (4,5-dihydro-thiazol-2-yl)-acetone (97855-56-6)

Guidance literature:

With n-butyllithium; diethyl ether; anschliessend mit Acetylchlorid in Benzol;

Reference yield:

2-methyl-4,5-dihydro-thiazole (2346-00-1) → (4,5-dihydro-thiazol-2-yl)-acetone (97855-56-6) + 7-methyl-2,3-dihydro-thiazolo[3,2-a]pyridin-5-one

Guidance literature:

With Ketene;

Reference yield:

2-methyl-4,5-dihydro-thiazole (2346-00-1) + ethyl acetate (141-78-6) → (4,5-dihydro-thiazol-2-yl)-acetone (97855-56-6)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, -78 deg C, 2 h, 2.) THF, hexane, -78 deg C, 1 h;

DOI:10.1016/S0957-4166(98)00215-8

upstream raw materials:

2-methyl-4,5-dihydro-thiazole

Ketene

ethyl acetate