Description

Ethyl 4-[(N-ethylanilino)methylideneamino]benzoate (CAS No. 65816-20-8) is a high-purity organic compound with the molecular formula C₁₈H₂₀N₂O₂. This specialized chemical features a benzoate ester core functionalized with an (N-ethylanilino)methyleneamino group, making it valuable for advanced synthetic and material science applications. The compound is supplied as a crystalline solid with >98% purity (HPLC), ideal for researchers requiring precise structural motifs in dye chemistry, coordination complexes, or polymer modification. Our stringent QC protocols ensure batch-to-batch consistency with comprehensive characterization including ¹H/¹³C NMR, FTIR, and mass spectrometry data available upon request. Suitable for use as a building block in photochromic materials, liquid crystal formulations, or as a ligand precursor in transition metal catalysis.

Properties

• CAS Number: 65816-20-8
• Complexity: 356
• IUPAC Name: ethyl 4-[(N-ethylanilino)methyleneamino]benzoate
• InChI: InChI=1S/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3
• InChI Key: LTGPEBRDBMFYBR-UHFFFAOYSA-N
• Exact Mass: 296.152477885
• Molecular Formula: C18H20N2O2
• Molecular Weight: 296.4
• SMILES: CCN(C=NC1=CC=C(C=C1)C(=O)OCC)C2=CC=CC=C2
• Topological: 41.9
• Monoisotopic Mass: 296.152477885
• Synonyms: Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate, Benzoic acid, 4-[[(ethylphenylamino)methylene]amino]-, ethyl ester, Ethyl 4-(((ethylphenylamino)methylene)amino)benzoate, EINECS 265-932-4, DTXSID6070356, Benzoic acid, 4-(((ethylphenylamino)methylene)amino)-, ethyl ester, DTXCID9044663, 265-932-4, 65816-20-8, ethyl 4-[(N-ethylanilino)methylideneamino]benzoate, Benzoic acid,4-[[(ethylphenylamino)methylene]amino]-, ethyl ester, ETHYL 4-(((ETHYLPHENYLAMINO)METHYLENE)-AMINO)BENZ, Givsorb UV 2, FCY8TS2M6C, SCHEMBL452146, SCHEMBL3267604, SCHEMBL6655693, LTGPEBRDBMFYBR-UHFFFAOYSA-N, AKOS015889576, AC-13362, DB-054844, NS00035916, ST51038361, ethyl 4-[2-(ethylphenylamino)-1-azavinyl]benzoate, Ethyl 4-(((ethyl(phenyl)amino)methylene)amino)benzoate, n’-(4-ethoxycarbonylphenyl)-n-ethyl-n-phenylformamidine, n-(p-ethoxycarbonylphenyl)-n’-ethyl-n’-phenylformamidine

Application

This compound serves as a key intermediate in the synthesis of advanced organic materials, particularly in the development of photoswitchable dyes and liquid crystal displays. Researchers utilize its Schiff base functionality for constructing metal-organic frameworks (MOFs) with tunable optical properties. The ethyl ester moiety enhances solubility in organic solvents, facilitating its incorporation into polymer matrices for functional material design.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Precautionary Statements

• P264, P280, P302+P352, P321, P332+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)

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