2-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazole

Base Information

• Chemical Name: 2-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazole
• CAS No.: 61033-72-5
• Molecular Formula: C9H8Cl2N2
• Molecular Weight: 215.082
• UNII: V2AN5TVG47
• ChEMBL ID: CHEMBL489080
• DSSTox Substance ID: DTXSID20492004
• Nikkaji Number: J2.261.064C
• Wikidata: Q82337291
• Mol file: 61033-72-5.mol

Synonyms:2-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazole;61033-72-5;2-(2,4-dichlorophenyl)-2-imidazoline;V2AN5TVG47;UNII-V2AN5TVG47;1H-Imidazole, 2-(2,4-dichlorophenyl)-4,5-dihydro-;CHEMBL489080;DTXSID20492004;BDBM50266030;2-N,N-Dimethylsulfamoylphenylboronic acid;PD179705;FT-0720309;A18978

Chemical Property of 2-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazole

Chemical Property:

• Melting Point: 98-100 °C
• Boiling Point: 156-158 °C(Press: 4 Torr)
• PKA: 9.06±0.40(Predicted)
• PSA: 24.39000
• Density: 1.44±0.1 g/cm3(Predicted)
• LogP: 2.10760
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 214.0064537
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazole

There total 3 articles about 2-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazole 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: 88.0%

2,4-dichlorobenzaldeyhde (874-42-0) + ethylenediamine (107-15-3,85404-18-8) → 2-(2,4-dichlorophenyl)-2-imidazoline (61033-72-5)

Guidance literature:

2,4-dichlorobenzaldeyhde; ethylenediamine; In tert-butyl alcohol; for 0.333333h;

With dihydrogen peroxide; magnesium sulfate; sodium iodide; In tert-butyl alcohol; at 80 ℃;

DOI:10.1055/s-0030-1259992

Reference yield:

C9H10Cl2N2 → 2-(2,4-dichlorophenyl)-2-imidazoline (61033-72-5)

Guidance literature:

With N-Bromosuccinimide; In water; at 65 - 70 ℃; for 0.2h; Ultrasound irradiation;

DOI:10.1016/j.bmcl.2008.03.001

Reference yield:

→ 2-(2,4-dichlorophenyl)-2-imidazoline (61033-72-5)

Guidance literature:

2,4-Dichlorbenzoesaeure, Ethylendiamin;

DOI:10.1007/BF00510116

upstream raw materials:

2,4-dichlorobenzaldeyhde

ethylenediamine

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