1-[2-(4-Chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

Base Information

• Chemical Name: 1-[2-(4-Chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
• CAS No.: 71047-49-9
• Molecular Formula: C12H11ClN2OS
• Molecular Weight: 266.751
• DSSTox Substance ID: DTXSID90353618
• Nikkaji Number: J2.990.674B
• Wikidata: Q82131317

Synonyms:71047-49-9;DTXSID90353618;1-[2-(4-Chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one;AKOS001114597;SR-01000492499;SR-01000492499-1

Chemical Property of 1-[2-(4-Chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.0280618
• Heavy Atom Count: 17
• Complexity: 282

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[2-(4-Chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

There total 5 articles about 1-[2-(4-Chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethan-1-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: 99.0%

potassium thioacyanate (333-20-0) + 4-chloro-aniline (106-47-8) + 3-chloropentane-2,4-dione (1694-29-7) → 1-(2-((4-chlorophenyl)amino)-4-methyl-1,3-thiazol-5-yl)ethan-1-one (71047-49-9)

Guidance literature:

With silica sulfuric acid; In neat (no solvent); at 20 ℃; for 0.333333h; Milling; Green chemistry;

DOI:10.1002/jhet.4079

Reference yield: 65.0%

3-bromopentane-2,4-dione (3043-28-5) + N-(4-chlorophenyl)thiourea (3696-23-9) → 1-(2-((4-chlorophenyl)amino)-4-methyl-1,3-thiazol-5-yl)ethan-1-one (71047-49-9)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In benzene; for 6h; Reflux;

DOI:10.3184/174751916X14519928918516

Reference yield: 31.5%

3-bromopentane-2,4-dione (3043-28-5) + N-(4-chlorophenyl)thiourea (3696-23-9) → 1-(2-((4-chlorophenyl)amino)-4-methyl-1,3-thiazol-5-yl)ethan-1-one (71047-49-9) + 5-acetyl-4-methyl-2-imino-3-(p-chlorophenyl)-2,3-dihydrothiazole (1235987-53-7)

Guidance literature:

In acetone; for 1h; Reflux;

DOI:10.1002/jhet.602

upstream raw materials:

3-chloropentane-2,4-dione

N-(4-chlorophenyl)thiourea

3-bromopentane-2,4-dione

acetylacetone

Downstream raw materials:

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

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

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

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

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