4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical [Catalyst for Oxidation]

Name: 4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical [Catalyst for Oxidation]
SKU: ACM3225261-2
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Catalog NumberACM3225261-2

CAS Number3225-26-1

CategoryOrganic Radicals; Battery Materials; Electronic Materials; Polymerization Reagents

4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical [Catalyst for Oxidation]

Synonyms

4-Hydroxy-TEMPO Benzoate Free Radical
4-Benzoyloxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical
4-Benzoyloxy-TEMPO Free Radical

IUPAC Name

(1-λ1-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) benzoate;

Molecular Weight

276.36

Molecular Formula

C16H22NO3

Canonical SMILES

CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C;

InChI

InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3

InChI Key

MJEDTBDGYVATPI-UHFFFAOYSA-N

Melting Point

104 °C

Purity

>97.0%(GC)(T)

Appearance

Light yellow to Brown powder to crystal

Application

4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical [Catalyst for Oxidation] serves as an innovative recycling catalyst in the hypochlorite/bromite-nitroxide oxidizing system. It effectively facilitates the conversion of alcohols to aldehydes, ketones, and carboxylic acids, removing the necessity for using catalytic or stoichiometric heavy metal oxidants. As an orange crystalline powder, this compound belongs to the piperidine class and is characterized by a benzoyloxy group at position 4. It functions as a radical scavenger and a spin probe, playing a critical role in chemical reactions while being related to 4-hydroxy-TEMPO.

Storage

Store under inert gas

Complexity

341

Covalently-Bonded Unit Count

Exact Mass

276.16g/mol

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00075563

Monoisotopic Mass

276.16g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

Topological Polar Surface Area

30.5A^2

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