Description

The Spiro(isobenzofuran-1(3H),9′-(9H)xanthen)-3-one, 6′-(ethyl(4-methylphenyl)amino)-3′-methyl-2′-(phenylamino)- (CAS No. 59129-79-2) is a high-purity organic compound with the molecular formula C₃₆H₃₀N₂O₃. This spiroxanthene derivative is characterized by its complex structure, featuring an anilino group, an ethyl-p-tolylamino substituent, and a methyl group, making it a valuable intermediate in advanced chemical synthesis. Its IUPAC name is 2′-anilino-6′-(N-ethyl-4-methylanilino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one. This compound is supplied with rigorous quality control to ensure consistency for research and industrial applications. Suitable for use in photochromic materials, dye synthesis, and as a functional component in optoelectronic devices, it is available in various quantities to meet laboratory and production needs.

Properties

• CAS Number: 59129-79-2
• Complexity: 913
• IUPAC Name: 2′-anilino-6′-(N-ethyl-4-methyl-anilino)-3′-methyl-spiro[isobenzofuran-3,9′-xanthene]-1-one
• InChI: InChI=1S/C36H30N2O3/c1-4-38(26-16-14-23(2)15-17-26)27-18-19-30-34(21-27)40-33-20-24(3)32(37-25-10-6-5-7-11-25)22-31(33)36(30)29-13-9-8-12-28(29)35(39)41-36/h5-22,37H,4H2,1-3H3
• InChI Key: IXHBSOXJLNEOPY-UHFFFAOYSA-N
• Exact Mass: 538.22564282
• Molecular Formula: C36H30N2O3
• Molecular Weight: 538.6
• SMILES: CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=C(C(=C6)NC7=CC=CC=C7)C
• Topological: 50.8
• Monoisotopic Mass: 538.22564282
• Physical Description: Dry Powder
• Synonyms: 2′-anilino-6′-[ethyl(p-tolyl)amino]-3′-methylspiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3-one, EINECS 261-618-6, 3-(N-Ethyl-N-p-tolyl)amino-6-methyl-7-anilinofluoran, DTXSID50886351, Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6′-[ethyl(4-methylphenyl)amino]-3′-methyl-2′-(phenylamino)-, 3′-(N-Ethyl-N-p-tolylamino)-6′-methyl-7′-anilinofluoran, Spiro(isobenzofuran-1(3H),9′-(9H)xanthen)-3-one, 6′-(ethyl(4-methylphenyl)amino)-3′-methyl-2′-(phenylamino)-, 2′-Anilino-6′-(ethyl(p-tolyl)amino)-3′-methylspiro(isobenzofuran-1(3H),9′-(9H)xanthene)-3-one, DTXCID301025684, 261-618-6, 59129-79-2, 2′-anilino-6′-(N-ethyl-4-methylanilino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one, 3′-[ethyl(4-methylphenyl)amino]-6′-methyl-7′-(phenylamino)-3H-spiro[2-benzofuran-1,9′-xanthen]-3-one, C36H30N2O3, SCHEMBL1395592, AKOS037647685, AS-74493, NS00055813, D93516, 6”-(Ethyl(p-tolyl)amino)-3”-methyl-2”-(phenylamino)-3H-spiro[isobenzofuran-1,9”-xanthen]-3-one

Application

This compound is primarily used in the development of photochromic materials, where its spiroxanthene core enables reversible color changes under UV light. It serves as a key intermediate in the synthesis of thermochromic dyes for applications in smart coatings and sensors. Researchers also utilize it in optoelectronic studies due to its fluorescence properties and structural versatility.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 7 of 7 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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