4-methoxy-TEMPO
Basic information
- CAS
95407-69-5- Standard SMILES
COC1CC(C)(C)N([O])C(C)(C)C1- InChIKey
SFXHWRCRQNGVLJ-UHFFFAOYSA-N- Molecular formula
- C10H20NO2
- Average molar mass
- 186.27 g/mol
Overview
4-methoxy-TEMPO is a member of the class of aminoxyls that is TEMPO carrying a methoxy substituent at position 4. It has a role as an autophagy inducer, a radical scavenger and an apoptosis inducer. It is an ether, a member of piperidines and a member of aminoxyls. It is functionally related to a TEMPO.
Names & identifiers
- Preferred name
- 4-methoxy-TEMPO
- English name
- 4-Methoxy-2,2,6,6-tetramethylpiperidine 1-oxyl
- Molecular formula
- C10H20NO2
- Molecular weight
- 186.27
Names & synonyms
4-methoxy-2,2,6,6-tetramethyl-1-piperidinyloxy4-Methoxy-TEMPO Free RadicalCHEBI:1806704-Methoxy-2,2,6,6-tetramethylpiperidinyloxyl2,2,6,6-Tetramethyl-4-methoxypiperidine-1-oxylMetexylMeO-TEMPORefChem:5247004-methoxy-2,2,6,6-tetramethylpiperidinyloxy4-methoxy-2,2,6,6-tetramethylpiperidin-1-oxy2,2,6,6-tetramethyl-4-methoxy-1-piperidinyloxy2,2,6,6-tetramethylpiperidine-4-methoxy-1-oxyl
Show more names
4-METHOXY-TEMPO4-Methoxy-TEMPO 97%4-METHOXY-TEMPO, FREE RADICALMethoxytetramethylpiperidineoxyl4-Methoxy-TEMPO, free radical, 98+%4-methoxy-2,2,6,6-tetramethylpiperidinyl-1-oxy[4-Methoxy-2,2,6,6-tetramethylpiperidinooxy]radical(2,2,6,6-Tetramethyl-4-methoxypiperidinooxy)radical
4-methoxy-2,2,6,6-tetramethylpiperidin-1-oxyl4-methoxy-2,2,6,6-tetramethylpiperidine-1-oxy4-methoxy-2,2,6,6-tetramethylpiperidine-n-oxyl2,2,6,6-Tetramethyl-4-methoxypiperidine 1-oxide4-methoxy-2,2,6,6-tetramethylpiperidine 1-oxide(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl4-methoxy-2,2,6,6-tetramethylpiperidine 1-oxyl4-Methoxy-2,2,6,6-tetramethylpiperidine-1-oxyl
Database identifiers
- CAS
95407-69-5- PubChem CID
- 10313435
- ChEBI
CHEBI:180670- Nikkaji
- J398.848A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 13.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 40.5 · 40.5-44 °C (lit.)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- color
- Orange to Amber to Dark red
- BRN
- 4740399 · 4740399
- InChI
- 1S/C10H20NO2/c1-9(2)6-8(13-5)7-10(3,4)11(9)12/h8H,6-7H2,1-5H3
- InChIKey
- SFXHWRCRQNGVLJ-UHFFFAOYSA-N
- SMILES
- COC1CC(C)(C)N([O])C(C)(C)C1
- UNSPSC Code
- 12352000 · 12352000
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Methoxy-TEMPO may be employed as catalyst for the synthesis of 2-substituted benzoxazoles, via aerobic oxidation reaction.
General Description4-Methoxy-TEMPO (4-methoxy-2,2,6,6-tetramethyl-1-piperidinyloxy) is an aminoxyl free radical commonly employed for the oxidation reaction of alcohols (primary/secondary). It has been proposed as hindered amine light stabiliser (HALS) model compound. Its reaction with irradiated dilute aqueous suspensions of photocatalytic nanoparticulate titanium dioxide was investigated by electron spin resonance (ESR) and electrospray ionization mass-spectrometry (ESI-MS).
Related reactions
2 records
Compound notes
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