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(4E)-3-(chloromethyl)-4-(4-isopropylbenzylidene)isoxazol-5(4H)-one

CAS 1142199-28-7Formula C14H14ClNO2MW 263.72PubChem 53407404

(4E)-3-(chloromethyl)-4-(4-isopropylbenzylidene)isoxazol-5(4H)-one is a functionalized isoxazolone derivative featuring a chloromethyl group and an isopropylbenzylidene moiety. It is intended for research and development applications as a chemical intermediate or building block.

Loading RDKit molecule structure...
InChIKey: ZSPRQLGHBLEWMC-UHFFFAOYSA-NC14H14ClNO2 | MW 263.72

Chemical Identity

Molecular Formula

C14H14ClNO2

Molecular Weight

263.72 g/mol

Exact Mass

263.071306

PubChem CID

53407404

IUPAC Name

3-(chloromethyl)-4-[(4-propan-2-ylphenyl)methylidene]-1,2-oxazol-5-one

SMILES String

CC(C)c1ccc(C=C2C(=O)ON=C2CCl)cc1

Names & Synonyms

3-(chloromethyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-4,5-dihydro-1,2-oxazol-5-one

Catalog Overview

(4E)-3-(chloromethyl)-4-(4-isopropylbenzylidene)isoxazol-5(4H)-one, identified by CAS 1142199-28-7 and molecular formula C14H14ClNO2, is a synthetic organic compound. It features an isoxazolone core substituted with a chloromethyl group at position 3 and a 4-isopropylbenzylidene group at position 4. This structure positions it as a versatile building block or intermediate in organic synthesis, particularly for exploring novel chemical entities. Its specific functional groups may enable various chemical transformations, making it suitable for diverse research applications in areas such as medicinal chemistry, agrochemistry, or...

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Read more catalog context

(4E)-3-(chloromethyl)-4-(4-isopropylbenzylidene)isoxazol-5(4H)-one, identified by CAS 1142199-28-7 and molecular formula C14H14ClNO2, is a synthetic organic compound. It features an isoxazolone core substituted with a chloromethyl group at position 3 and a 4-isopropylbenzylidene group at position 4. This structure positions it as a versatile building block or intermediate in organic synthesis, particularly for exploring novel chemical entities. Its specific functional groups may enable various chemical transformations, making it suitable for diverse research applications in areas such as medicinal chemistry, agrochemistry, or materials science. This product is for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

130.0 °C

Boiling Point

350.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble

Flash Point

190.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Always consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. This product is for research use only and not for human or animal use.

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