Azlactone

HCID 65073CAS 1199-01-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CN=C(c2ccccc2)O1
InChIKey
QKCKCXFWENOGER-UHFFFAOYSA-N
Molecular formula
C9H7NO2
Average molar mass
161.16 g/mol
Monoisotopic mass
161.04767846

Overview

2-phenyloxazol-5(4H)-one is a 1,3-oxazole having a phenyl substituent at the 2-position and an oxo group at the 5-position. Note that phenyloxazolone is commonly used as a synonym for 4-(ethoxymethylene)-2-phenyloxazol-5-one (PhOx).

Names & identifiers

Preferred name
Azlactone
IUPAC
2-phenyl-4H-1,3-oxazol-5-one
English name
2-Phenyl-5-oxazolone
Molecular formula
C9H7NO2
Molecular weight
161.16

Names & synonyms

2-Phenyloxazol-5(4H)-one1199-01-55(4H)-Oxazolone, 2-phenyl-2-Phenyloxazolone2-Phenyloxazolin-5-one2-phenyl-1,3-oxazol-5(4H)-oneCHEBI:602962-phenyloxazol-5-oneDTXSID0061612AzlactoneRefChem:560587DTXCID7033523
Show more names
2-phenyl-5(4h)-oxazolon2-PHENYL-2-OXAZOLIN-5-ONE2-Phenyl-2-oxazoline-5-one
214-840-22-Phenyl-5-oxazolonePhenyloxazolone2-phenyl-4H-oxazol-5-one2-Phenyl-5(4H)-OxazoloneMFCD000145172-phenyl-4H-1,3-oxazol-5-one2-Oxazolin-5-one, 2-phenyl-

Database identifiers

CAS
1199-01-5
PubChem CID
65073
DTXSID
DTXSID0061612
ChEBI
CHEBI:60296
UNII
2ZE8X9UTS8
EC Number
214-840-2
Nikkaji
J217.040J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionOrange powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
89 · 89-92°C
Boiling point
248.1 · 248.1±23.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Soluble in most common organic solvents.
pka
2.56 · 2.56±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
safety_code
22-24/25
Hazard statements
H302-H312-H315-H318-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information5(4H)-Oxazolone, 2-phenyl-: INACTIVE

Applications

Uses2-Phenyl-5-oxazolone is a reagent used as a masked glycine equivalent and for the formation of heterocyclic structures, it can be used to produce 4-benzylidene-2-phenyl-4H-oxazol-5-one.

Upstream & downstream products

Suppliers50 total

山东玖玥生物科技有限公司15553333686
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Additional notes

DefinitionChEBI: A 1,3-oxazole having a phenyl substituent at the 2-position and an oxo group at the 5-position. Note that phenyloxazolone is commonly used as a synonym for 4-(ethoxymethylene)-2-phenyloxazol-5-one (PhOx).

Related reactions

22 records
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Linked notes

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