1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone

Base Information

• Chemical Name: 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone
• CAS No.: 46503-52-0
• Molecular Formula: C11H8Cl2N2O
• Molecular Weight: 255.103
• Hs Code.: 2933290090
• European Community (EC) Number: 256-273-3
• DSSTox Substance ID: DTXSID10196862
• Nikkaji Number: J281.642C
• Wikidata: Q72467468
• ChEMBL ID: CHEMBL350843
• Mol file: 46503-52-0.mol

Synonyms:46503-52-0;1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone;1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one;C11H8Cl2N2O;1-(2,4-Dichlorophenyl)-2-(1H-imidazole-1-yl) ethanone;ethanone, 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-;EINECS 256-273-3;MFCD00617550;1-(2,4-Dichlorobenzoylmethyl)imidazole;imazalil TP1;Cambridge id 5308482;1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethanone;2'-(1H-Imidazole-1-yl)-2,4-dichloroacetophenone;CHEMBL350843;IFLab1_001176;SCHEMBL2454118;DTXSID10196862;2,4-dichlorophenacyl-1H-imidazol;HMS1415F10;N-(2,4-dichlorophenacyl)imidazole;N-(2,4-dichlorophenacyl)-imidazole;1-(2,4-dichlorophenacyl) imidazole;AM1018;AKOS005255825;AC-8782;IDI1_009043;1-(2,4-Dichlorophenacyl)-1H-imidazole;FT-0639859;1-(2,4-dichlorophenyl)2-imidazol-1-ylethanol;A51084;AB00079877-01;SR-01000394043;2'-(1H-Imidazole-1-yl)-2,4-dichloro acetophenone;SR-01000394043-1;W-106088;1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-ethanone;1-(2,4-dichlorophenyl)-2-(1h-imidazole-1-yl)ethanone;2'-(1H-IMIDAZL-1-YL)-2,4-DICHLOROACETOPHENONE

Chemical Property of 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone

Chemical Property:

• Appearance/Colour: Off-white solid
• Melting Point: 76-78 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 441.1 °C at 760 mmHg
• PKA: 5.97±0.10(Predicted)
• Flash Point: 220.6 °C
• PSA: 34.89000
• Density: 1.38 g/cm³
• LogP: 3.07280
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 254.0013683
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=CN=C2

Technology Process of 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone

There total 9 articles about 1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-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: 96.0%

1H-imidazole (288-32-4) + 2,2',4'-trichloroacetophenone (4252-78-2) → 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanone (46503-52-0)

Guidance literature:

With potassium carbonate; In acetonitrile; for 4h; Reflux;

DOI:10.1016/j.bmcl.2019.126794

Reference yield: 92.0%

1H-imidazole (288-32-4) + 2,4-dichlorophenacyl bromide (2631-72-3) → 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanone (46503-52-0)

Guidance literature:

With triethylamine; In dichloromethane; at 10 ℃; Reagent/catalyst;

Reference yield: 83.0%

1H-imidazole (288-32-4) + 1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4) → 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanone (46503-52-0)

Guidance literature:

With sodium iodide dichloride; In ethanol; water; for 2h; Reflux;

DOI:10.1002/jhet.4412

upstream raw materials:

1H-imidazole

2,2',4'-trichloroacetophenone

2,4-dichlorophenacyl bromide

2-diazo-1-(2,4-dichlorophenyl)ethanone

Downstream raw materials:

2-(2,4-dichlorophenyl)-1-(1-imidazolyl)-pentan-2-ol

2-(2,4-Dichloro-phenyl)-1-imidazol-1-yl-hex-5-en-2-ol

2-(2,4-Dichloro-phenyl)-1-imidazol-1-yl-3-methyl-pent-4-en-2-ol

2-(2,4-dichlorophenyl)-1-(1-imidazolyl)-pent-4-en-2-ol

Refernces

• 1、 Zhou, You,Lu, Xin,Du, Chenxi,Liu, Yijun,Wang, Yifan,Hong, Kwon Ho,Chen, Yao,Sun, Haopeng. "Novel BuChE-IDO1 inhibitors from sertaconazole: Virtual screening, chemical optimization and molecular modeling studies". . . Retrieved 2021/01/07.
• 2、 Ghodse, Shrikant M.,Hatvate, Navnath T.,Telvekar, Vikas N.. "One pot synthesis of α-N-heteroaryl ketone derivatives from aryl ketones using aqueous NaICl2". supporting information. . Retrieved 2021/12/08.