Description
4-Methoxyphenyl 4-(4-(2-oxiranyl)butoxy)benzoate (CAS No. 144447-11-0) is a high-purity specialty chemical with the molecular formula C20H22O5. This compound, also known by its IUPAC name (4-methoxyphenyl) 4-[4-(oxiran-2-yl)butoxy]benzoate, features a unique molecular structure combining a methoxyphenyl group with an epoxy-functionalized butoxybenzoate moiety. It is supplied as a research-grade material with ≥95% purity (HPLC) and is ideal for advanced organic synthesis, polymer chemistry, and materials science applications. The product is packaged under inert gas to ensure stability and is available in quantities ranging from milligrams to kilograms. Suitable for use in pharmaceutical intermediates, liquid crystal materials, and epoxy resin modifiers. Store in a cool, dry place away from light and moisture.
Properties
- CAS Number: 144447-11-0
- Complexity: 397
- IUPAC Name: (4-methoxyphenyl) 4-[4-(oxiran-2-yl)butoxy]benzoate
- InChI: InChI=1S/C20H22O5/c1-22-16-9-11-18(12-10-16)25-20(21)15-5-7-17(8-6-15)23-13-3-2-4-19-14-24-19/h5-12,19H,2-4,13-14H2,1H3
- InChI Key: GUVONCNNLQOJHV-UHFFFAOYSA-N
- Exact Mass: 342.14672380
- Molecular Formula: C20H22O5
- Molecular Weight: 342.4
- SMILES: COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCC3CO3
- Topological: 57.3
- Monoisotopic Mass: 342.14672380
- Synonyms: 144447-11-0, DTXSID101020119, 4-Methoxyphenyl 4-(4-(2-oxiranyl)butoxy)benzoate, 4-Methoxyphenyl 4-[4-(2-oxiranyl)butoxy]benzoate, DTXCID501477956, SCHEMBL1830299, GUVONCNNLQOJHV-UHFFFAOYSA-N, 4-METHOXYPHENYL 4-[4-(OXIRAN-2-YL)BUTOXY]BENZOATE, Benzoic acid, 4-[4-(2-oxiranyl)butoxy]-, 4-methoxyphenyl ester
Application
This compound serves as a versatile intermediate in the synthesis of advanced materials, particularly in the development of epoxy-based polymers and liquid crystalline systems. Researchers utilize it for modifying resin properties due to its reactive oxirane functionality. It may also find use in pharmaceutical research as a building block for drug discovery programs targeting specific receptor interactions.
Safety and Hazards
GHS Hazard Statements
- H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statements
- P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501
Hazard Classes and Categories
- Skin Sens. 1 (100%)
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