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

Base Information

• Chemical Name: 2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
• CAS No.: 13623-58-0
• Molecular Formula: C10H12N2
• Molecular Weight: 160.219
• Hs Code.: 2933290090
• NSC Number: 27752
• UNII: RRD74D3TP4
• DSSTox Substance ID: DTXSID50282738
• Nikkaji Number: J931.962J
• Wikidata: Q82017087
• Pharos Ligand ID: LGWCJ11WWX8D
• ChEMBL ID: CHEMBL269197
• Mol file: 13623-58-0.mol

Synonyms:13623-58-0;2-(4-methylphenyl)-4,5-dihydro-1H-imidazole;1h-imidazole, 4,5-dihydro-2-(4-methylphenyl)-;2-(p-Tolyl)-4,5-dihydro-1H-imidazole;2-p-Tolyl-4,5-dihydro-1H-imidazole;CHEMBL269197;4,5-Dihydro-2-(4-methylphenyl)-1H-Imidazole;NSC-27752;NSC27752;RRD74D3TP4;2-Imidazoline, 2-p-tolyl-;2-(4-Methylphenyl)imidazoline;5-Phenyl-2-furancarboxylicacid;SCHEMBL1886692;DTXSID50282738;BDBM50240362;STK366005;AKOS001429416;CS-0244788;FT-0740086;EN300-29398;Z283690302

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

Chemical Property:

• Vapor Pressure: 0.0103mmHg at 25°C
• Melting Point: 183 °C
• Boiling Point: 263.4°C at 760 mmHg
• PKA: 10.11±0.40(Predicted)
• Flash Point: 113.1°C
• PSA: 24.39000
• Density: 1.1g/cm³
• LogP: 1.10920
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.100048391
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-methylphenyl)-4,5-dihydro-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NCCN2
• Uses: 2-(4-Methylphenyl)-4,5-dihydro-1H-imidazole is used in preparation of benziamide compounds as PPAR agonists.

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

There total 19 articles about 2-(4-methylphenyl)-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: 96.0%

para-methylbenzonitrile (104-85-8) + ethylenediamine (107-15-3,85404-18-8) → 2-(p-tolyl)imidazoline (13623-58-0)

Guidance literature:

With tetraphosphorus decasulfide; for 0.108333h; microwave irradiation;

DOI:10.1007/s00706-007-0645-y

Reference yield: 94.0%

4-methyl-benzaldehyde (104-87-0) + ethylenediamine (107-15-3,85404-18-8) → 2-(p-tolyl)imidazoline (13623-58-0)

Guidance literature:

4-methyl-benzaldehyde; 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: 85.0%

N-hydroxy-4-methylbenzenecarboximidoyl chloride (36288-37-6) + ethylenediamine (107-15-3,85404-18-8) → 2-(p-tolyl)imidazoline (13623-58-0)

Guidance literature:

at 90 ℃; for 4h;

DOI:10.3987/COM-97-S(N)109

upstream raw materials:

1-Nitroso-2-p-tolyl-4,5-dihydro-1H-imidazole

N-benzoyl-4-methylthiobenzamide

ethylenediamine

N-(Ethoxycarbonyl)-4-methylbenzenethiocarboxamide

Downstream raw materials:

2-(4-methylphenyl)-1-phenyl-4,5-dihydro-1H-imidazole

C₁₆H₁₅N₃O₂S

C₁₆H₁₇N₃O₂S

C₁₇H₁₆N₂O₂S

Refernces

• 1、 Liu, Shuai,Li, Wang,Pang, Yiying,Xiao, Hesheng,Zhou, Yi,Wang, Xiaoji. "Green Synthesis of 2-Substituted Imidazolines using Hydrogen Peroxide Catalyzed by Tungstophosphoric Acid and Tetrabutylammonium Bromide in Water". . p. 998 - 1002. Retrieved 2019/02/05.
• 2、 Manikandan, Rajendran,Anitha, Panneerselvam,Prakash, Govindan,Vijayan, Paranthaman,Viswanathamurthi, Periasamy,Butcher, Ray Jay,Malecki, Jan Grzegorz. "Ruthenium(II) carbonyl complexes containing pyridoxal thiosemicarbazone and trans-bis(triphenylphosphine/arsine): Synthesis, structure and their recyclable catalysis of nitriles to amides and synthesis of imidazolines". . p. 312 - 324. Retrieved 2015/01/30.