55579-77-6

Basic information

• Product Name: 5-(2-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE
• Synonyms: 5-(2-methoxyphenyl)cyclohexane-1,3-quinone;5-(2-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE;CHEMBRDG-BB 4004569;ASISCHEM C66308;Albb-006878;5-(2-methoxyphenyl)cyclohexane-1,3-dione(SALTDATA: FREE)
• CAS NO: 55579-77-6
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25
• Mol File: 55579-77-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 380.01°C at 760 mmHg
• Flash Point: 170.216°C
• Appearance: /
• Density: 1.163g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.542
• CAS DataBase Reference: 5-(2-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(2-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE(55579-77-6)
• EPA Substance Registry System: 5-(2-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE(55579-77-6)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 55579-77-6(Hazardous Substances Data)

Usage

General Description

5-(2-Methoxy-phenyl)-cyclohexane-1,3-dione is a chemical compound with a molecular formula C13H16O3. It is also known as 5-(2-methoxyphenyl)-1,3-cyclohexanedione and is a derivative of cyclohexanedione. This chemical is a yellow to brownish-yellow solid with a melting point of 90-93°C. It is commonly used as an intermediate in the synthesis of various pharmaceutical and agrochemical compounds. Its main applications include as a building block in the production of various drugs, such as anti-inflammatory and anti-cancer agents. Additionally, it is used in the synthesis of certain pesticide and herbicide compounds. Overall, 5-(2-Methoxy-phenyl)-cyclohexane-1,3-dione has various industrial applications due to its versatility as a chemical intermediate.

InChI:InChI=1/C13H14O3/c1-16-13-5-3-2-4-12(13)9-6-10(14)8-11(15)7-9/h2-5,9H,6-8H2,1H3

Upstream product

• 95486-40-1 2-<2-Methoxy-phenyl>-4,6-dioxo-cyclohexan-1,3-dicarbonsaeure-diethylester 
• 105-53-3 diethyl malonate 
• 60438-50-8 2-methoxybenzalacetone 
• 135-02-4 ortho-anisaldehyde 
• 6768-22-5 diethyl 2-methoxybenzylidenemalonate 

Downstream Products

• 55579-56-1 7-chloro-10-hydroxy-3-(2-methoxy-phenyl)-3,4-dihydro-2H,10H-acridine-1,9-dione 
• 144155-06-6 7-Chloro-3-(2-methoxy-phenyl)-3,4-dihydro-2H,10H-acridine-1,9-dione 
• 144155-40-8 7-Chloro-1-[(E)-3-dimethylamino-propylimino]-3-(2-methoxy-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one 
• 144128-63-2 7-Chloro-1-[(E)-3-dimethylamino-propylimino]-10-hydroxy-3-(2-methoxy-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one 
• 239130-93-9 7-(2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydroquinolin-5-one 

Relevant articles and documents

Construction of Multiple-Substituted Chiral Cyclohexanes through Hydrogenative Desymmetrization of 2,2,5-Trisubstituted 1,3-Cyclohexanediones

The construction of chiral multiple-substituted cyclohexanes motifs is a challenging topic in organic synthesis. By the combination of desymmetrization and remote stereocontrol, a ruthenium-catalyzed transfer hydrogenative desymmetrization of 2,2,5-trisubstituted 1,3-cyclohexanediones has been successfully developed for the construction of chiral multiple-substituted cyclohexanes with high enantioselectivity and diastereoselectivity. When an ester group was introduced to the two-position, a hydrogenative desymmetrization/transesterification cascade occurred, affording the bicyclic lactones bearing three stereocenters, including two discrete stereocenters and one quaternary stereogenic center, with high enantioselectivity. The products are the multiple-substituted chiral cyclohexanes bearing the hydroxyl and carbonyl functional groups, which provide a new opportunity for further precise elaboration.

PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES

A process for the production of optically active cyclic enaminone derivatives characterized by aminating one of the carbonyl groups of a cyclic 1,3-diketone derivative having a symmetry plane to obtain an optically isomeric mixture of chiral cyclic enamin