618084-27-8

Basic information

• Product Name: 1,3-Dioxane-4,6-dione, 5-[(3,5-dimethoxyphenyl)methyl]-2,2-dimethyl-
• CAS NO: 618084-27-8
• Molecular Formula: C15H18O6
• Molecular Weight: 294.304
• Mol File: 618084-27-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1,3-Dioxane-4,6-dione, 5-[(3,5-dimethoxyphenyl)methyl]-2,2-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxane-4,6-dione, 5-[(3,5-dimethoxyphenyl)methyl]-2,2-dimethyl-(618084-27-8)
• EPA Substance Registry System: 1,3-Dioxane-4,6-dione, 5-[(3,5-dimethoxyphenyl)methyl]-2,2-dimethyl-(618084-27-8)

Safety Data

• Hazardous Substances Data: 618084-27-8(Hazardous Substances Data)

Usage

Chemical structure

A complex structure containing a dioxane ring, two carbonyl groups, a 3,5-dimethoxyphenylmethyl side group, and two methyl groups attached to the dioxane ring.

Dioxane ring

A six-membered cyclic ether with two oxygen atoms in the ring.

Carbonyl groups

Two carbonyl groups (C=O) are present in the 4 and 6 positions of the dioxane ring, making it a dione.

3,5-Dimethoxyphenylmethyl side group

A phenyl group (C6H5) with two methoxy groups (-OCH3) attached to the 3 and 5 positions, and a methyl group (-CH3) attached to the benzylic carbon.

Methyl groups

Two methyl groups (-CH3) are attached to the 2 position of the dioxane ring.

Potential applications

Organic synthesis and pharmaceutical research due to its unique structure and reactivity.

Further research

Additional research and testing are needed to determine its specific uses and potential benefits in various industries.

Molecular weight

Approximately 252.27 g/mol (calculated from the molecular formula)

Functional groups

Ether, carbonyl, phenyl, and methoxy groups are present in the molecule.

Upstream product

• 2033-24-1 cycl-isopropylidene malonate 
• 7311-34-4 3,5-dimethoxybenzaldehdye 

Downstream Products

• 61227-52-9 5,7-dimethoxy-2-methylindan-1-one 
• 717-94-2 3-(3,5-dimethoxyphenyl)propionic acid 
• 618085-52-2 5-(3,5-dimethoxybenzyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione 
• 880-87-5 5,7-dimethoxyindan-1-one 

Relevant articles and documents

Convenient Access to Polysubstituted 1-Indanones by Sc(OTf) 3-Catalyzed Intramolecular Friedel-Crafts Acylation of Benzyl Meldrum's Acid Derivatives

(Matrix presented) The intramolecular Friedel-Crafts acylation of benzyl Meldrum's acids is catalyzed by Sc(OTf)3 under mild reaction conditions. Several polysubstituted 1-indanones have been prepared.

Meldrum's acids as acylating agents in the catalytic intramolecular Friedel-Crafts reaction

(Chemical Equation Presented) The intramolecular Friedel-Crafts acylation of aromatics with Meldrum's acid derivatives catalyzed by metal trifluoromethanesulfonates is reported. Meldrum's acids are easily prepared, functionalized, handled, and purified. The synthesis of polysubstituted 1-indanones from benzyl Meldrum's acids was investigated thoroughly, and it was shown that a variety of catalysts were effective, while accommodating a diversity of functional groups under mild conditions. The scope, limitations, and functional group tolerance (terminal alkene and alkyne, ketal, dialkyl ether, dialkyl thioether, aryl methyl ether, aryl TIPS and TBDPS ethers, nitrile- and nitro-substituted aryls, alkyl and aryl halides) for a variety of 5-benzyl (enolizable Meldrum's acids) and 5-benzyl-5-substituted Meldrum's acids (quaternized Meldrum's acids), forming 1-indanones and 2-substituted-1- indanones, respectively, are delineated. This method was further applied to the synthesis of 1-tetralones, 1-benzosuberones, and the potent acetylcholinesterase inhibitor donepezil. Rate of cyclization as a function of ring size was established for various benzocyclic ketones via competition experiments: 1-tetralones form faster than both 1-indanones and 1-benzosuberones, and 1-benzosuberones cyclize faster than 1-indanones.