(4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one

Basic Information

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CAS Number

15646-46-5

Molecular Formula

C12H11NO3

Molecular Weight

217.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

94-96 °C (dec.)

Boiling Point

357.77°C (rough estimate)

Water Solubility

Soluble in methanol (50 mg/ml), and water (partly).

Flash Point

136.8 °C

Refractive Index

1.5560 (estimate)

SMILES

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CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChIKey

SJHPCNCNNSSLPL-UHFFFAOYSA-N

LogP

1.8679

Topological Polar Surface Area

47.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

327

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

5(4H)-Oxazolone, 4-(ethoxymethylene)-2-phenyl-, (E)-
SCHEMBL13774969
(E)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
40RAK33386
2-phenyl-oxazolone
J-009303
2-phenyl-4-ethoxymethylene-5(4H)-oxazolone
2-phenyl-4-(ethoxymethylene)-5(4H)-oxazolone
Oxazolone
4-ethoxymethylene-2-phenyl-4H-1,3-oxazol-5-one
SCHEMBL25034
phOx
2-phenyl-4-ethoxymethylene-5-oxazolone
4-(ethoxymethylidene)-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
57784-65-3
Q7115125
D84249
4-(ethoxymethylene)-2-phenyloxazol-5-one
(4E)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
etox
(4E)-4-(Ethoxymethylene)-2-phenyl-5(4H)-oxazolone
UNII-40RAK33386
5(4H)-Oxazolone, 4-(ethoxymethylene)-2-phenyl-, (4E)-
4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5(4H)-one
DTXSID60860167
SJHPCNCNNSSLPL-CSKARUKUSA-N
CS-0102963
pxazolone
AKOS005174701
InChI=1/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8
phenyl Ox

MDL Number

MFCD03225480

Customs Code

2934999090

FAQ

What is (4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5)?

(4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5) is a heterocyclic organic compound. It has a molecular formula of C11H10O3 and belongs to the oxazole class. This compound is characterized by its unique structural features, which include a phenyl ring, an oxazole ring, and an ethoxymethylene group. It is commonly used as a precursor in the synthesis of various pharmaceuticals and agrochemicals.

What are the main uses of (4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5)?

(4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5) is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It serves as a key building block for the development of anti-inflammatory, antiviral, and anticancer drugs. Additionally, it is used in research for studying the properties of oxazoles and their derivatives.

Is (4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5) safe?

The safety of (4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5) depends on the specific application and handling conditions. It is generally considered safe when handled with appropriate protective measures, such as wearing gloves and safety glasses. However, it should be used in well-ventilated areas and with proper fume hoods to minimize inhalation risks. Always follow the manufacturer's instructions and safety guidelines.

How should (4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5) be stored?

(4E)-4-(Ethoxymethylene)-2-phenyl-1,3-oxazol-5(4H)-one (CAS: 15646-46-5) should be stored in a cool, dry place, away from direct sunlight and heat sources to prevent degradation. It should be kept in a tightly sealed container to protect it from moisture and air. The storage temperature should be maintained between 10°C and 25°C. Adequate ventilation should be provided to ensure the safety of the storage area.