18940-21-1

Basic information

• Product Name: 3-anilino-5,5-dimethyl-2-cyclohexen-1-one
• Synonyms: 3-anilino-5,5-dimethyl-2-cyclohexen-1-one
• CAS NO: 18940-21-1
• Molecular Formula: C₁₄H₁₇NO
• Molecular Weight: 215.3
• Mol File: 18940-21-1.mol
• Article Data: 62

Chemical Properties

• Boiling Point: 331.6°C at 760 mmHg
• Flash Point: 123.9°C
• Appearance: /
• Density: 1.089g/cm³
• Vapor Pressure: 0.000154mmHg at 25°C
• Refractive Index: 1.582
• CAS DataBase Reference: 3-anilino-5,5-dimethyl-2-cyclohexen-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3-anilino-5,5-dimethyl-2-cyclohexen-1-one(18940-21-1)
• EPA Substance Registry System: 3-anilino-5,5-dimethyl-2-cyclohexen-1-one(18940-21-1)

Safety Data

• Hazardous Substances Data: 18940-21-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H17NO/c1-14(2)9-12(8-13(16)10-14)15-11-6-4-3-5-7-11/h3-8,15H,9-10H2,1-2H3

Upstream product

• 126-81-8 dimedone 
• 62-53-3 aniline 
• 701-58-6 5,5-dimethyl-3-methylamino-2-cyclohexenone 
• 103-72-0 phenyl isothiocyanate 
• 108-86-1 bromobenzene 
• 873-95-0 1-amino-5,5-dimethylcyclohexen-3-one 
• 108-90-7 chlorobenzene 
• 89129-64-6 2'-Acetyl-4,4,5',5'-tetramethyl-bicyclohexyl-2,6,3'-trione 
• 3471-13-4 dimedone 
• 76159-20-1 3-Anilino-2-hexamethyleniminomethyl-5,5-dimethyl-2-cyclohexen-1-on 
• 51407-82-0 3-Anilino-2-diethylaminomethyl-5,5-dimethyl-2-cyclohexen-1-on 
• 74972-01-3 3-Anilino-2-dimethylaminomethyl-5,5-dimethyl-2-cyclohexen-1-on 
• 51407-84-2 5,5-dimethyl-2-(N-morpholinomethyl)-3-anilino-2-cyclohexen-1-one 

Downstream Products

• 51407-83-1 5,5-dimethyl-2-(N-piperidinomethyl)-3-anilino-2-cyclohexen-1-one 
• 72012-84-1 2,2'-methylenebis(5,5-dimethyl-3-(phenylamino)cyclohex-2-en-1-one) 
• 76159-31-4 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-3-phenylamino-5,5-dimethyl-2-cyclohexen-1-one 
• 156496-75-2 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 
• 128134-18-9 methyl 3-anilino-5,5-dimethyl-1-oxo-2-cyclohexene-2-dithiocarboxylate 
• 137556-81-1 7,7-dimethyl-4-methylthio-5-oxo-1-phenyl-1,5,6,7-tetrahydro-2H-3,1-benzothiazine-2-thione 
• 83231-60-1 3,3,6,6-tetramethyl-9-phenyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione 
• 159301-95-8 3,3,6,6-tetramethyl-1,8-dioxo-9-(4-methoxyphenyl)-10-(4-phenyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridine 

Relevant articles and documents

Synthesis of new heterocyclic systems—substituted spiro[chromene-4,3′-indoles] and spiro[indole-3,4′-quinolines]

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Photocyclization to cis-Hexahydrocarbazol-4-ones: Substrate Modification, Mechanism, and Scope

Upon irradiation at = 366 nm, tertiary N-alkoxycarbonyl-N-aryl-β-enaminones furnished exclusively the trans-hexahydrocarbazol-4-ones by a conrotatory [6π] photocyclization but epimerized on silica to cis-hexahydrocarbazol-4-ones (14 examples, 44-98% yield). The acceptor substitution on the nitrogen atom enhanced the stability of the cyclized products compared to N-alkyl-N-aryl-β-enaminones reported previously. The mechanism of the [6π] photocyclization was investigated by quenching experiments, deuterium-labeling experiments, and DFT calculations, suggesting a triplet pathway for the conrotatory ring closure followed by a suprafacial [1,4] hydrogen migration.