4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-ol

Base Information

• Chemical Name: 4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-ol
• CAS No.: 61919-29-7
• Molecular Formula: C13H18N2O
• Molecular Weight: 218.29500
• ChEMBL ID: CHEMBL232883
• DSSTox Substance ID: DTXSID00181242,DTXSID90579053
• Nikkaji Number: J915.442F
• Wikidata: Q82469454,Q83051850
• Mol file: 61919-29-7.mol

Synonyms:61919-29-7;CHEMBL232883;SCHEMBL12106232;DTXSID90579053;4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-ol;1-oxyl-2-phenyl-4,4,5,5-tetramethylimidazoline;4,4,5,5-tetramethyl-2-phenyl-4,5-dihydro-1h-imidazole-3-oxide

Chemical Property of 4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-ol

Chemical Property:

• Melting Point: 173-175 °C
• Boiling Point: 315.2±25.0 °C(Predicted)
• PSA: 35.83000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 2.06870
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.141913202
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(N(C(=N1)C2=CC=CC=C2)O)(C)C)C

Technology Process of 4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-ol

There total 2 articles about 4,4,5,5-Tetramethyl-2-phenyl-4,5-dihydro-1H-imidazol-1-ol 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: 50.0%

1,3-dihydroxyl-2-phenyl-4,4,5,5-tetramethylimidazolidine (18389-99-6) → 2-phenyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy (61919-29-7)

Guidance literature:

In n-heptane; for 12h; Heating;

DOI:10.1070/MC2001v011n05ABEH001472

Reference yield:

1-oxyl-2-phenyl-4,4,5,5-tetramethyl-2-imidazoline (26731-64-6) + 1-15N-1-hydroxy-2,2,4,4,5,5-pentamethyl-3-imidazoline 3-oxide → 2-phenyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy (61919-29-7) + C8H15N(15)NO2

Guidance literature:

In chloroform; at 19.9 ℃; Equilibrium constant; Thermodynamic data; ΔG;

Reference yield: 87.0%

2-phenyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy (61919-29-7) → 1-oxyl-2-phenyl-4,4,5,5-tetramethyl-2-imidazoline (26731-64-6)

Guidance literature:

With lead dioxide; In chloroform; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1997-1311

upstream raw materials:

1-oxyl-2-phenyl-4,4,5,5-tetramethyl-2-imidazoline

1,3-dihydroxyl-2-phenyl-4,4,5,5-tetramethylimidazolidine

Downstream raw materials:

1-oxyl-2-phenyl-4,4,5,5-tetramethyl-2-imidazoline

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