2-naphthalen-2-yl-4,5-dihydro-1H-imidazole

Base Information

• Chemical Name: 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
• CAS No.: 113698-36-5
• Molecular Formula: C13H12 N2
• Molecular Weight: 286.28
• European Community (EC) Number: 634-546-1
• ChEMBL ID: CHEMBL266155
• DSSTox Substance ID: DTXSID8048442
• Nikkaji Number: J1.293.380K
• Pharos Ligand ID: 9R8AHWSSUF53
• Wikidata: Q81976597
• Mol file: 113698-36-5.mol

Synonyms:2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;113698-36-5;CHEMBL266155;2-(naphthalen-2-yl)-4,5-dihydro-1H-imidazole;SCHEMBL9575180;DTXSID8048442;BGWRJAXPPYHIRG-UHFFFAOYSA-N;BDBM50240366

Chemical Property of 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole

Chemical Property:

• PSA: 24.39000
• LogP: 1.95400
• Solubility.: H2O: ≤8 mg/mL
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.100048391
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN=C(N1)C2=CC3=CC=CC=C3C=C2

Technology Process of 2-naphthalen-2-yl-4,5-dihydro-1H-imidazole

There total 13 articles about 2-naphthalen-2-yl-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: 95.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + 2-iodonaphthalene (612-55-5) + ethylenediamine (107-15-3,85404-18-8) → Benazoline (113698-36-5)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; caesium carbonate; palladium dichloride; In toluene; for 16h; Inert atmosphere; Reflux;

DOI:10.1021/jo400252n

Reference yield: 92.0%

2-naphthalenecarbonitrile (613-46-7) + ethylenediamine (107-15-3,85404-18-8) → Benazoline (113698-36-5)

Guidance literature:

With [Ru(CO)(pyridoxalthiosemicarbazone hydrochloride)(triphenylphosphine)₂]; In neat (no solvent); at 80 ℃; for 3h; Catalytic behavior;

DOI:10.1016/j.molcata.2014.12.017

Reference yield: 33.0%

4,4-dimethyl-2-(naphthalen-2-yl)-4,5-dihydrooxazole (109660-11-9) + ethylenediamine (107-15-3,85404-18-8) → Benazoline (113698-36-5)

Guidance literature:

4,4-dimethyl-2-(naphthalen-2-yl)-4,5-dihydrooxazole; With methyl iodide; at 20 ℃; for 144h;

ethylenediamine; for 10h; Further stages.; Heating;

DOI:10.1021/jm010301z

upstream raw materials:

imidazolidone

naphthalene-2-carboxylate

2-naphthalenecarbonitrile

ethylene diamine mono-p-toluenesulfonic acid salt

Downstream raw materials:

5-(4-chloro-phenyl)-2,5-dihydro-3H-benzo[f]imidazo[2,1-a]isoindol-5-ol