4-Oxo-2,2,6,6-tetramethylpiperidine-D16-1-oxyl

Base Information

• Chemical Name: 4-Oxo-2,2,6,6-tetramethylpiperidine-D16-1-oxyl
• CAS No.: 36763-53-8
• Molecular Formula: C₉H₁₆NO₂
• Molecular Weight: 186.104
• European Community (EC) Number: 695-498-5
• Nikkaji Number: J582.888K
• Mol file: 36763-53-8.mol

Synonyms:36763-53-8;4-Oxo-TEMPO-d16, free radical;4-OXO-2,2,6,6-TETRAMETHYLPIPERIDINE-D16-1-OXYL;CID 16213282;DTXSID00583843;4-Oxo-TEMPO-d16, free radical, for ESR-spectroscopy, 97 atom % D;{2,2,6,6-Tetrakis[(~2~H_3_)methyl]-4-oxo(~2~H_4_)piperidin-1-yl}oxidanyl

Chemical Property of 4-Oxo-2,2,6,6-tetramethylpiperidine-D16-1-oxyl

Chemical Property:

• Melting Point: 35 °C(lit.)
• PSA: 20.31000
• LogP: 1.49190
• Storage Temp.: 0-6°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.218531688
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

4-Oxo-TEMPO-d16, free radical for ESR-spectroscopy, 97 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CC(=O)CC(N1[O])(C)C)C
• Isomeric SMILES: [2H]C1(C(=O)C(C(N(C1(C([2H])([2H])[2H])C([2H])([2H])[2H])[O])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])[2H]
• Uses: 4-Oxo-2,2,6,6-tetramethylpiperidine-d16-1-oxyl (CAS# 36763-53-8) is a useful isotopically labeled research compound.

Technology Process of 4-Oxo-2,2,6,6-tetramethylpiperidine-D16-1-oxyl

There total 3 articles about 4-Oxo-2,2,6,6-tetramethylpiperidine-D16-1-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: 82.1%

1H-perdeutero-2,2,6,6-tetramethyl-4-piperidone (73322-03-9) → 2,2,6,6-tetramethyl-4-piperidone-N-oxyl-d16 (36763-53-8)

Guidance literature:

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In water; at 5 - 25 ℃;

DOI:10.1002/ardp.200800053

Reference yield:

[(2)H6]acetone (666-52-4) → 2,2,6,6-tetramethyl-4-piperidone-N-oxyl-d16 (36763-53-8)

Guidance literature:

With ammonia-d3; calcium chloride; Yield given. Multistep reaction; 1.) D₂O, 203 K to RT, 36 h then RT, 7 d;

DOI:10.1021/j150655a019

Reference yield:

→ 2,2,6,6-tetramethyl-4-piperidone-N-oxyl-d16 (36763-53-8)

Guidance literature:

Aceton-d6, ND3;

DOI:10.1021/ja00494a033

upstream raw materials:

[⁽²⁾H₆]acetone

1H-perdeutero-2,2,6,6-tetramethyl-4-piperidone