1-(4-Chlorophenyl)-2-imidazolidinone

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-2-imidazolidinone
• CAS No.: 14088-99-4
• Molecular Formula: C9H9 Cl N2 O
• Molecular Weight: 196.636
• Hs Code.: 2933990090
• European Community (EC) Number: 830-031-2
• DSSTox Substance ID: DTXSID20161485
• Nikkaji Number: J40.916B
• Wikidata: Q83029908
• Mol file: 14088-99-4.mol

Synonyms:14088-99-4;1-(4-chlorophenyl)-2-imidazolidinone;1-(4-chlorophenyl)imidazolidin-2-one;2-Imidazolidinone, 1-(4-chlorophenyl)-;BRN 0170674;2-IMIDAZOLIDINONE, 1-(p-CHLOROPHENYL)-;1-(p-Chlorophenyl)-2-imidazolidinone;AI3-60268;MFCD01721093;5-24-01-00069 (Beilstein Handbook Reference);SCHEMBL2723456;DTXSID20161485;IZAHIGCYGOLFQV-UHFFFAOYSA-N;CS-D0552;AKOS024262395;DS-9335;LS-79366;SY046070;EN300-213840;F14607;A885718;F2147-0729;Z1491195468

Chemical Property of 1-(4-Chlorophenyl)-2-imidazolidinone

Chemical Property:

• PKA: 13.79±0.20(Predicted)
• PSA: 35.83000
• Density: 1.324g/cm³
• LogP: 1.57460
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.0403406
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)imidazolidin-2-one 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N1)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-2-imidazolidinone

There total 5 articles about 1-(4-Chlorophenyl)-2-imidazolidinone 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: 66.0%

3-azidopropanoic acid (18523-47-2,79583-67-8) + 4-chloro-aniline (106-47-8) → 1-(4-chlorophenyl)-2-imidazolidinone (14088-99-4)

Guidance literature:

3-azidopropanoic acid; With triethylamine; diisopropyl-carbodiimide; In N,N-dimethyl-formamide; at 25 ℃; for 0.0833333h;

4-chloro-aniline; In N,N-dimethyl-formamide; at 50 ℃; for 5h; Inert atmosphere; Darkness;

DOI:10.1021/jo401738f

Reference yield: 65.0%

imidazolidone (120-93-4) + 1-Chloro-4-iodobenzene (637-87-6) → 1-(4-chlorophenyl)-2-imidazolidinone (14088-99-4)

Guidance literature:

With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine; In butan-1-ol; at 100 ℃; for 5h;

DOI:10.1016/j.tetlet.2010.04.064

Reference yield:

N-(2-chloro-ethyl)-N'-(4-chloro-phenyl)-urea (65536-39-2) → 1-(4-chlorophenyl)-2-imidazolidinone (14088-99-4)

Guidance literature:

With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2009.09.037

upstream raw materials:

dimethylenecyclourethane

4-chloro-aniline

N-(2-chloro-ethyl)-N'-(4-chloro-phenyl)-urea

imidazolidone

Downstream raw materials:

1-(4-chlorophenyl)-3-(5-[3-(4-methoxyphenoxy)propoxy]pentyl)-2-imidazolidinone

1-(4-chloro-phenyl)-3-nitroso-imidazolidin-2-one

C₁₇H₂₄ClN₃O

(3-{5-[3-(4-chloro-phenyl)-2-oxo-imidazolidin-1-yl]-pentyloxy}-phenyl)-thiourea

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