2-Phenylamino-4-Methyl-5-Acetyl Thiazole

Base Information

• Chemical Name: 2-Phenylamino-4-Methyl-5-Acetyl Thiazole
• CAS No.: 31609-42-4
• Molecular Formula: C12H12 N2 O S
• Molecular Weight: 232.306
• Hs Code.: 2934100090
• European Community (EC) Number: 672-246-2
• DSSTox Substance ID: DTXSID60352855
• Nikkaji Number: J2.990.671H
• Wikidata: Q27097573
• Metabolomics Workbench ID: 151498
• ChEMBL ID: CHEMBL1235108
• Mol file: 31609-42-4.mol

Synonyms:2-phenylamino-4-methyl-5-acetylthiazole

Chemical Property of 2-Phenylamino-4-Methyl-5-Acetyl Thiazole

Chemical Property:

• PSA: 70.23000
• LogP: 3.47070
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.06703418
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)C

Technology Process of 2-Phenylamino-4-Methyl-5-Acetyl Thiazole

There total 14 articles about 2-Phenylamino-4-Methyl-5-Acetyl Thiazole 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: 98.0%

potassium thioacyanate (333-20-0) + aniline (62-53-3) + 3-chloropentane-2,4-dione (1694-29-7) → 1-(4-methyl-2-(phenylamino)-1,3-thiazol-5-yl)ethan-1-one (31609-42-4)

Guidance literature:

With silica sulfuric acid; In neat (no solvent); at 20 ℃; for 0.5h; Milling; Green chemistry;

DOI:10.1002/jhet.4079

Reference yield: 90.0%

acetylacetone (123-54-6,81235-32-7) + monophenylthiourea (103-85-5) → 1-(4-methyl-2-(phenylamino)-1,3-thiazol-5-yl)ethan-1-one (31609-42-4)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In benzene; for 6h; Heating;

Reference yield: 85.0%

3-chloropentane-2,4-dione (1694-29-7) + monophenylthiourea (103-85-5) → 1-(4-methyl-2-(phenylamino)-1,3-thiazol-5-yl)ethan-1-one (31609-42-4)

Guidance literature:

With pyridine; In methanol; at 20 ℃;

DOI:10.1021/acs.jmedchem.6b01670

upstream raw materials:

N-(5-acetyl-4-methyl-thiazol-2-yl)-N-phenyl-acetamide

ethanol

1-acetyl-3-phenylthiourea

triethylamine

Downstream raw materials:

1-(2-anilino-4-methyl-thiazol-5-yl)-3-(4-chloro-phenyl)-propenone

1-(2-anilino-4-methyl-thiazol-5-yl)-3-(2-chloro-phenyl)-propenone

1-(2-anilino-4-methyl-thiazol-5-yl)-3-(4-nitro-phenyl)-propenone

1-(2-anilino-4-methyl-thiazol-5-yl)-3-phenyl-propenone