4-Benzyloxy-2(1H)-pyridone

HCID 3607724CAS 53937-02-3
Substructure searchFind similar structures

Basic information

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 properties

XLogP
1.4
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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

Suppliers50 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]

Related reactions

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Linked notes

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