1-[2-(2,6-Dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone

Base Information

• Chemical Name: 1-[2-(2,6-Dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone
• CAS No.: 54707-71-0
• Molecular Formula: C11H11Cl2N3O
• Molecular Weight: 272.134
• Hs Code.: 2933290000
• European Community (EC) Number: 611-188-4
• UNII: W0VH9P7CUJ
• DSSTox Substance ID: DTXSID901153564
• Mol file: 54707-71-0.mol

Synonyms:54707-71-0;1-[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone;W0VH9P7CUJ;SKF 34874;SKF-34874;1-Acetyl-2-(2,6-dichlorophenylimino)-imidazolidine);1-{2-[(2,6-dichlorophenyl)amino]-4,5-dihydro-1H-imidazol-1-yl}ethan-1-one;acetylclonidine;acetyl clonidine;1-[2-[(2,6-Dichlorophenyl)amino]-4,5-dihydro-1H-imidazol-1-yl]ethanone;1-{2-[(2,6-dichlorophenyl)amino]-4,5-dihydro-1H-imidazol-1-yl}ethanone;1-(2-((2,6-Dichlorophenyl)amino)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one;N-Acetyl clonidine;N-ACETYLCLONIDINE;UNII-W0VH9P7CUJ;CBMicro_009381;N-Acetyl clonidine [USP];SCHEMBL11862845;DTXSID901153564;SMSF0013364;STK762038;AKOS000678675;CB12153;BIM-0009507.P001;E86948;SR-01000527979;SR-01000527979-1;CLONIDINE HYDROCHLORIDE IMPURITY B [EP IMPURITY];1-ACETYL-2-(2,6-DICHLOROPHENYLIMINO)IMIDAZOLIDINE;1-Acetyl-2-[(2,6-dichlorophenyl)amino]-4,5-dihydro-1H-imidazole

Chemical Property of 1-[2-(2,6-Dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone

Chemical Property:

• Vapor Pressure: 1.48E-05mmHg at 25°C
• Melting Point: 162-166°C
• Boiling Point: 366.3°C at 760 mmHg
• PKA: 1.57±0.70(Predicted)
• Flash Point: 175.3°C
• PSA: 44.70000
• Density: 1.44g/cm³
• LogP: 2.06990
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 271.0279174
• Heavy Atom Count: 17
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Acetylclonidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1CCN=C1NC2=C(C=CC=C2Cl)Cl
• Uses: Acetylcholidine (Clonidine EP Impurity B) is an impurity in the synthesis of Clonidine (C587120) an α2-Adrenergic agonist. Antihypertensive; analgesic for neuropathic pain.

Technology Process of 1-[2-(2,6-Dichloroanilino)-4,5-dihydroimidazol-1-yl]ethanone

There total 3 articles about 1-[2-(2,6-Dichloroanilino)-4,5-dihydroimidazol-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:

1-acetylimidazolidin-2-one (5391-39-9) + 2,6-Dichloroaniline (608-31-1) → 1-acetyl-2-(2,6-dichloro-anilino)-4,5-dihydro-1H-imidazole (54707-71-0)

Guidance literature:

With trichlorophosphate;

Reference yield:

→ 1-Acetyl-2-(2,6-dichlorophenylimino)-imidazolidin (54707-71-0)

Guidance literature:

Verb. No.1a (Table I) (Bzl.), Ac2O (25grad);

DOI:10.1021/jm00235a020

Reference yield:

→ 1-acetyl-2-(2,6-dichloro-anilino)-4,5-dihydro-1H-imidazole (54707-71-0)

Guidance literature:

1-Acetyl-imidazolidin-2-on + 2,6-Dichloranilin + POCl3.;

upstream raw materials:

1-acetylimidazolidin-2-one

2,6-Dichloroaniline

Downstream raw materials:

clonidine hydrochloride

Refernces