Description

2-[N-(2-acetyloxyethyl)-3-methylanilino]ethyl acetate (CAS No. 21615-36-1) is a high-purity chemical compound with the molecular formula C₁₅H₂₁NO₄. This specialized ester derivative features a 3-methylaniline core linked to two ethyl acetate groups via an imino bridge, offering unique reactivity and solubility properties. Ideal for advanced organic synthesis and pharmaceutical research, this compound is supplied as a clear to pale yellow liquid with ≥95% purity (GC). Each batch undergoes rigorous QC testing including HPLC, GC-MS, and NMR to ensure consistency for demanding applications. Available in research quantities (100mg to 100g) with optional custom purification.

Key Specifications:
– Molecular Weight: 279.33 g/mol
– Boiling Point: ~320°C (predicted)
– Density: 1.12 g/cm³ (estimated)
– Storage: 2-8°C under inert atmosphere
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 21615-36-1
• Complexity: 299
• IUPAC Name: 2-[N-(2-acetoxyethyl)-3-methyl-anilino]ethyl acetate
• InChI: InChI=1S/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3
• InChI Key: AHLUBQCOAONRMZ-UHFFFAOYSA-N
• Exact Mass: 279.14705815
• Molecular Formula: C15H21NO4
• Molecular Weight: 279.33
• SMILES: CC1=CC(=CC=C1)N(CCOC(=O)C)CCOC(=O)C
• Topological: 55.8
• Monoisotopic Mass: 279.14705815
• Synonyms: 2,2′-((3-Methylphenyl)imino)bisethyl diacetate, A8Z6SW5VW7, DTXSID3066718, EINECS 244-478-0, Ethanol, 2,2′-((3-methylphenyl)imino)bis-, 1,1′-diacetate, Ethanol, 2,2′-((3-methylphenyl)imino)bis-, diacetate (ester), Ethanol, 2,2′-[(3-methylphenyl)imino]bis-, diacetate (ester), 2,2′-[(3-methylphenyl)imino]bisethyl diacetate, Ethanol, 2,2′-[(3-methylphenyl)imino]bis-, 1,1′-diacetate, DTXCID4036518, 244-478-0, 21615-36-1, 2-[N-(2-acetyloxyethyl)-3-methylanilino]ethyl acetate, N,N-Diacetoxyethyl-m-toluidine, UNII-A8Z6SW5VW7, SCHEMBL8020755, AHLUBQCOAONRMZ-UHFFFAOYSA-N, DB-045639, NS00026918, 2,2′-((3-Methylphenyl)imino)bisethyl diacetate, A815529, 2-{[2-(acetyloxy)ethyl](3-methylphenyl)amino}ethyl acetate

Application

This compound serves as a versatile intermediate in organic synthesis, particularly for developing novel aniline derivatives with modified solubility profiles. Researchers utilize it in pharmaceutical development for creating prodrug candidates with enhanced bioavailability. The dual acetate groups make it valuable for controlled-release formulations where gradual ester hydrolysis is desired. Its structural features are being investigated in materials science for modified polyurethane catalysts.

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