2-(1H-imidazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

Base Information

• Chemical Name: 2-(1H-imidazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
• CAS No.: 157058-44-1
• Molecular Formula: C14H14N2O
• Molecular Weight: 226.278
• European Community (EC) Number: 927-000-1
• DSSTox Substance ID: DTXSID501194114
• Nikkaji Number: J759.037G

Synonyms:SCHEMBL337671;GQNBYFSDTYPZNS-UHFFFAOYSA-N;DTXSID501194114;2-(1H-imidazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one;3,4-Dihydro-2-(1H-imidazol-5-ylmethyl)-1(2H)-naphthalenone;2-[(1H-Imidazol-4-yl)methyl]-3,4-dihydronaphthalen-1(2H)-one;157058-44-1

Chemical Property of 2-(1H-imidazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(=O)C1CC3=CN=CN3

Technology Process of 2-(1H-imidazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

There total 2 articles about 2-(1H-imidazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one 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: 62.0%

2-(1H-imidazol-4-ylmethylene)-3,4-dihydro-2H-naphthalen-1-one (157058-34-9) → 2-(imidazol-4-ylmethyl)-1-tetralone (157058-44-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; under 750.06 Torr; Ambient temperature;

DOI:10.1002/ardp.19963290506

Reference yield:

C14H12N2O (628731-50-0) → 2-(imidazol-4-ylmethyl)-1-tetralone (157058-44-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 2068.65 Torr;

Reference yield: 82.0%

trityl chloride (76-83-5) + 2-(imidazol-4-ylmethyl)-1-tetralone (157058-44-1) → 4-[(1,2,3,4-tetrahydronaphthalen-1-on-2-yl)methyl]-1-tritylimidazole (331992-77-9)

Guidance literature:

With triethylamine; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 16h;

upstream raw materials:

2-(1H-imidazol-4-ylmethylene)-3,4-dihydro-2H-naphthalen-1-one

C₁₄H₁₂N₂O

Downstream raw materials:

4-[(1,2,3,4-tetrahydronaphthalen-1-on-2-yl)methyl]-1-tritylimidazole

2-(2-thioxo-2,3-dihydro-1H-imidazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

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