(Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime

Base Information

• Chemical Name: (Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime
• CAS No.: 64211-06-9
• Molecular Formula: C11H9Cl2N3O
• Molecular Weight: 270.118
• Hs Code.: 2933290000
• European Community (EC) Number: 917-661-4,919-020-4
• DSSTox Substance ID: DTXSID801177515
• Nikkaji Number: J689.859I
• ChEMBL ID: CHEMBL4588103
• Mol file: 64211-06-9.mol

Synonyms:64211-06-9;(Z)-2'-(1H-Imidazole-1-yl)-2,4-dichloroacetophenone oxime;(Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime;CID 5480616;(NZ)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethylidene]hydroxylamine;MFCD09031299;CHEMBL4588103;SCHEMBL10365716;DTXSID801177515;(E)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime;(Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanoneoxime;AKOS005255815;DS-3429;AC-19494;A834674;(Z)-2'-(1H-imidazol-1-yl)-2,4-dichloroacetophenone oxime;(1Z)-1-(2,4-Dichlorophenyl)-1-(hydroxyimino)-2-imidazolylethane;(1Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime;(E)-2',4'-Dichloro-alpha-(1H-imidazol-1-yl)acetophenone oxime;(Z)-N-[1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethylidene]hydroxylamine

Chemical Property of (Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime

Chemical Property:

• Boiling Point: 483.5 °C at 760 mmHg
• PKA: 9.88±0.70(Predicted)
• Flash Point: 246.2 °C
• PSA: 50.41000
• Density: 1.43 g/cm³
• LogP: 3.06840
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 269.0122673
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

99%, ^*data from raw suppliers

(Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime 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(=NO)CN2C=CN=C2
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)/C(=N/O)/CN2C=CN=C2
• Uses: (Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone Hydroxime is used as a reactant in the preparation of fungicides.

Technology Process of (Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime

There total 4 articles about (Z)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone oxime 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: 69.5%

1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone hydrochloride (98164-08-0) → (Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-ethanone oxime (64211-06-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; for 3h; pH=14; Reflux;

DOI:10.1016/j.ejmech.2019.06.083

Reference yield:

1H-imidazole (288-32-4) + 2,2',4'-trichloroacetophenone (4252-78-2) → (Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-ethanone oxime (64211-06-9)

Guidance literature:

1H-imidazole; 2,2',4'-trichloroacetophenone; In methanol; for 3.83333h; Reflux;

With ammonium hydroxide; dihydrogen peroxide; In methanol; at 25 ℃; for 5h; Reagent/catalyst;

Reference yield:

1H-imidazole (288-32-4) + hydroxylamine hydrochloride (5470-11-1) + 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanone (46503-52-0) + 2,2',4'-trichloroacetophenone (4252-78-2) → (Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-ethanone oxime (64211-06-9)

Guidance literature:

With potassium hydroxide; In methanol; dichloromethane;

upstream raw materials:

1H-imidazole

hydroxylamine hydrochloride

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

2,2',4'-trichloroacetophenone

Downstream raw materials:

1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone O-benzo[b]thiophen-3-ylmethyl-oxime

1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone O-benzo[b]thiophen-2-ylmethyl-oxime

1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-ethanone O-(5-chloro-benzo[b]thiophen-2-ylmethyl)-oxime

Refernces

• 1、 Sari, Suat,Kart,?ztürk,Kaynak, F. Betül,Gencel,Ta?kor, Gülce,Karakurt, Arzu,Sara?,E?siz, ?ebnem,Dalkara. "Discovery of new azoles with potent activity against Candida spp. and Candida albicans biofilms through virtual screening". supporting information. p. 634 - 648. Retrieved 2019/07/05.
• 2、 -. "Process for the stereospecific preparation of imidazolyl oximes". . . Retrieved 2008/06/13.