2-Phenyl 4,4,5,5-tetramethylimidazoline-1-oxyl

Base Information

• Chemical Name: 2-Phenyl 4,4,5,5-tetramethylimidazoline-1-oxyl
• CAS No.: 26731-64-6
• Molecular Formula: C13H17 N2 O
• Molecular Weight: 217.291
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID00181242
• Nikkaji Number: J603.022J
• Mol file: 26731-64-6.mol

Synonyms:1-PTI;2-phenyl 4,4,5,5-tetramethylimidazoline-1-oxyl

Chemical Property of 2-Phenyl 4,4,5,5-tetramethylimidazoline-1-oxyl

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 15.60000
• Density: g/cm³
• LogP: 2.02500
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 217.134088170
• Heavy Atom Count: 16
• Complexity: 301

Purity/Quality:

99%min ^*data from raw suppliers

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 2-Phenyl 4,4,5,5-tetramethylimidazoline-1-oxyl

There total 10 articles about 2-Phenyl 4,4,5,5-tetramethylimidazoline-1-oxyl 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: 87.0%

2-phenyl-4,4,5,5-tetramethylimidazolin-3-oxide-1-oxyl (18390-00-6,31032-05-0) → 1-oxyl-2-phenyl-4,4,5,5-tetramethyl-2-imidazoline (26731-64-6)

Guidance literature:

With hydrogenchloride; sodium nitrite; In 1,4-dioxane; for 0.25h; Ambient temperature;

DOI:10.1055/s-1997-1311

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

Reference yield: 78.0%

2-Phenyl-4,4,5,5-tetramethylimidazolidine (351902-03-9) → 2-phenyl-4,4,5,5-tetramethylimidazolin-3-oxide-1-oxyl (18390-00-6,31032-05-0) + 1-oxyl-2-phenyl-4,4,5,5-tetramethyl-2-imidazoline (26731-64-6)

Guidance literature:

2-Phenyl-4,4,5,5-tetramethylimidazolidine; With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 1h; Ice cooling;

With sodium periodate; In dichloromethane; Further stages.;

DOI:10.1002/1521-3765(20010504)7:9<2007::AID-CHEM2007>3.0.CO;2-7

upstream raw materials:

2-phenyl-4,4,5,5-tetramethylimidazolin-3-oxide-1-oxyl

2-phenyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy

2-Phenyl-4,4,5,5-tetramethylimidazolidine

2,3-dimethyl-2,3-diaminobutane

Downstream raw materials:

bis(2-phenyl-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazoline-1-oxyl)bis(trifluoroacetate)copper(II)

4-carboxy-2,5-dihydro-2,2,5,5-trimethyl-3-imidazolin-1-oxyl 3-oxide

2,2,5,5-Tetramethyl-3-oxy-2,5-dihydro-1H-imidazole-4-carboxylic acid

4,4,5,5-tetramethyl-2-phenyl-4,5-dihydro-1H-imidazole

Refernces

• 1、 Li, Xican. "2-Phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-Oxide (PTIO?) Radical Scavenging: A New and Simple Antioxidant Assay in Vitro". . p. 6288 - 6297. Retrieved 2017.
• 2、 Zhang, Ziqian,Wu, Jiayao,Shang, Zhihao,Wang, Chao,Cheng, Jiagao,Qian, Xuhong,Xiao, Yi,Xu, Zhiping,Yang, Youjun. "Photocalibrated NO Release from N-Nitrosated Napthalimides upon One-Photon or Two-Photon Irradiation". . p. 7274 - 7280. Retrieved 2016/07/27.