4-Benzyloxy-2(1H)-pyridone
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Basic information
- CAS
53937-02-3- Standard SMILES
O=c1cc(OCc2ccccc2)cc[nH]1- InChIKey
DOVNUEPFPBWTSV-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 4-Benzyloxy-2(1H)-pyridone
- IUPAC
- 4-phenylmethoxy-1H-pyridin-2-one
- English name
- 4-BENZYLOXY-2(1 H)-PYRIDONE
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
4-Benzyloxy-2(1H)-pyridoneRefChem:518511628-287-353937-02-34-Benzyloxy-2-(1H)-pyridone4-BENZYLOXY-2-HYDROXYPYRIDINE4-Benzyloxypyridin-2-one4-(Benzyloxy)pyridin-2(1H)-one4-(Benzyloxy)pyridin-2-ol4-BENZYLOXY-2(1 H)-PYRIDONE4-phenylmethoxy-1H-pyridin-2-one2(1H)-Pyridinone, 4-(phenylmethoxy)-
Show more names
2G/10G/1KG4-Benzyloxy-pyridin-2-ol4-benzyloxy-2(1H)-pyrodone4-Benzyloxy-2(1 H)-pyridine4-Benzyloxypyridin-2-one?New4-(Benzyloxy)pyridin-2-ol 97%
4-(benzyloxy)-1,2-dihydropyridin-2-oneMFCD04039771MLS001360006SMR0012243274-Benzyloxy-1H-pyridin-2-one4-(phenylmethoxy)hydropyridin-2-one4-benzyloxypyridone4-benzyloxypyridinone
Database identifiers
- CAS
53937-02-3- PubChem CID
- 3607724
- DTXSID
DTXSID30394121- ChEMBL
CHEMBL1475400- EC Number
- 628-287-3
- Nikkaji
- J281.983J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Solubility>30.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 201 · 201-203 °C (lit.)
- Boiling point
- 464.3 · 464.3±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.09 · 11.09±0.10(Predicted)
- form
- Powder
- color
- Yellow to orange to brown
- InChI
- 1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
- InChIKey
- DOVNUEPFPBWTSV-UHFFFAOYSA-N
- SMILES
- O=C1NC=CC(OCc2ccccc2)=C1
- CAS DataBase Reference
- 53937 · 53937-02-3
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Chemistry & industry
Applications
Uses4-Benzyloxy-2(1H)-pyridone may be used for the synthesis of novel 2-pyridone derivatives. It may be used for the alkylation of the pyridine nitrogen under mild and anhydrous conditions, via reaction with n-Bu4I and KOBu-t.
General DescriptionN-alkylation of 4-benzyloxy-2(1H)-pyridone with the corresponding benzyl halides has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
170 records
Compound notes
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