1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)-

Base Information

• Chemical Name: 1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)-
• CAS No.: 89781-63-5
• Molecular Formula: C₁₃H₁₂N₂
• Molecular Weight: 196.252
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50237889
• Nikkaji Number: J419.946D
• Pharos Ligand ID: 9NVQSGDHKD99
• ChEMBL ID: CHEMBL208471
• Mol file: 89781-63-5.mol

Synonyms:89781-63-5;1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole;1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)-;BRN 4745179;1-(3,4-Dihydro-2-naphthalenyl)-1H-imidazole;Dihydronaphthalene 13;1-(3,4-dihydronaphthalen-2-yl)imidazole;D0N4VI;BDBM8898;CHEMBL208471;SCHEMBL4513496;DTXSID50237889;AKOS006279027;LS-78473;PD178890;1,2-Dihydro-3-(1H-imidazol-1-yl)naphthalene

Chemical Property of 1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)-

Chemical Property:

• Vapor Pressure: 1.19E-05mmHg at 25°C
• Boiling Point: 369.5°C at 760 mmHg
• PKA: 6.66±0.10(Predicted)
• Flash Point: 177.2°C
• PSA: 17.82000
• Density: 1.14g/cm³
• LogP: 2.82740
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.100048391
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

1-(3,4-DIHYDRO-NAPHTHALEN-2-YL)-1H-IMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CC2=CC=CC=C21)N3C=CN=C3

Technology Process of 1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)-

There total 5 articles about 1H-Imidazole, 1-(3,4-dihydro-2-naphthalenyl)- 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%

2-(1H-imidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (886040-23-9) → 1,2-dihydro-3-(1-imidazolyl)-naphthalene (89781-63-5)

Guidance literature:

With sulfuric acid; acetic acid; at 100 ℃; for 4h;

DOI:10.1021/jm060055x

Reference yield:

2-bromo-1-tetralone (1056246-70-8,13672-07-6) → 1,2-dihydro-3-(1-imidazolyl)-naphthalene (89781-63-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 65 percent / dimethylformamide / 20 °C

2: 91 percent / NaBH₄ / methanol / 1 h / 20 °C

3: 96 percent / acetic acid; sulfuric acid / 4 h / 100 °C

With sodium tetrahydroborate; sulfuric acid; acetic acid; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/jm060055x

Reference yield:

3,4-Dihydro-2-(1H-imidazol-1-yl)-1-naphthalenone (84391-39-9) → 1,2-dihydro-3-(1-imidazolyl)-naphthalene (89781-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / NaBH₄ / methanol / 1 h / 20 °C

2: 96 percent / acetic acid; sulfuric acid / 4 h / 100 °C

With sodium tetrahydroborate; sulfuric acid; acetic acid; In methanol;

DOI:10.1021/jm060055x

upstream raw materials:

2-(1H-imidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-bromo-1-tetralone

3,4-Dihydro-2-(1H-imidazol-1-yl)-1-naphthalenone

3,4-dihydronaphthalene-1(2H)-one

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