67996-11-6

Basic information

• Product Name: 1,3-Dioxane-4,6-dione, 5-(1H-indol-3-ylphenylmethyl)-2,2-dimethyl-
• CAS NO: 67996-11-6
• Molecular Formula: C21H19NO4
• Molecular Weight: 349.386
• Mol File: 67996-11-6.mol
• Article Data: 9

Chemical Properties

• CAS DataBase Reference: 1,3-Dioxane-4,6-dione, 5-(1H-indol-3-ylphenylmethyl)-2,2-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxane-4,6-dione, 5-(1H-indol-3-ylphenylmethyl)-2,2-dimethyl-(67996-11-6)
• EPA Substance Registry System: 1,3-Dioxane-4,6-dione, 5-(1H-indol-3-ylphenylmethyl)-2,2-dimethyl-(67996-11-6)

Safety Data

• Hazardous Substances Data: 67996-11-6(Hazardous Substances Data)

Usage

Chemical class

Dioxane dione derivatives

Structural features

Dioxane ring
1H-indol-3-ylphenylmethyl group attached to the 5-position
Two methyl groups attached to the 2-position

Potential applications

Pharmaceutical industry

Structural significance

The presence of the dioxane ring provides a stable and rigid structure
The 1H-indol-3-ylphenylmethyl group at the 5-position may contribute to the compound's biological activity
The two methyl groups at the 2-position may influence the compound's lipophilicity and steric properties

Research interest

Further investigation into its properties and behavior in biological systems
Exploration of its potential use in the development of new drugs

Molecular weight

Approximately 291.32 g/mol

Appearance

Likely a solid or crystalline substance (based on typical properties of similar compounds)

Solubility

Solvent compatibility is not provided, but similar compounds are often soluble in organic solvents like methanol, ethanol, or dimethyl sulfoxide (DMSO)

Stability

Stability information is not provided, but it is generally expected that such compounds are stable under normal laboratory conditions and should be stored away from light, heat, and moisture to maintain integrity.

Upstream product

• 120-72-9 indole 
• 1214-54-6 5-benzylidene Meldrum's acid 
• 2033-24-1 cycl-isopropylidene malonate 
• 100-52-7 benzaldehyde 

Downstream Products

• 71710-56-0 3-indol-3-yl-N-methyl-3-phenyl-propionamide 
• 1092390-78-7 3-[(1H-indol-3-yl)(phenyl)methyl]-1-methyl-1H-indole 
• 35173-74-1 3,3'-bis-indolyl(phenyl)methane 
• 29670-54-0 3,3'-(phenylmethane-1,1-diyl)bis(1-methyl-1H-indole) 
• 105949-46-0 3-(1-phenylbut-3-en-1-yl)-1H-indole 
• 296235-55-7 α-N-benzyloxycarbonyl-β-phenyltryptophan tert-butyl ester 
• 296235-46-6 2-tert-butoxycarbonyl-3-(indol-3-yl)-3-phenylpropionic acid 

Relevant articles and documents

Design, synthesis, and molecular docking of new 5-HT reuptake inhibitors based on modified 1,2-dihydrocyclopenta[b]indol-3(4H)-one scaffold

Abstract: A new group of serotonin reuptake inhibitors containing 1,2-dihydrocyclopenta[b]indol-3(4H)-one scaffold was synthesized, starting from indole 5-((1H-indol-3-yl)(1,3-dioxane-4,6-diones as a key intermediates. Following three transformations including intramolecular cyclization and formation of imines, a series of new ligand for human serotonin transporter was obtained. The ability of these ligands to inhibit human TS3 serotonin transporter as well as selectivity toward human D3 dopamine receptor and dopamine transporter were tested in silico using docking software. Graphical Abstract: SYNOPSIS?A series of new serotonin reuptake inhibitors containing 1,2-dihydrocyclopenta[b]indol-3(4H)-one scaffold were designed and synthesized. Affinity to human TS3 transporter and D3 receptor were tested in silico.[Figure not available: see fulltext.].

A combination of green solvent and ultrasonic irradiation promotes the catalyst-free reaction of aldehydes, indoles and Meldrum’s acid

Abstract: A facile and practical approach for the preparation of 3-indole derivatives was performed by the Yonemitsu condensation of indoles with Meldrum’s acid and aldehydes in a mixture of solvent from glycerol and water under ultrasonic irradiation at

Scandium triflate-catalyzed nucleophilic additions to indolylmethyl Meldrum's acid derivatives via a gramine-type fragmentation: Synthesis of substituted indolemethanes

Treatment of indolylmethyl Meldrum's acids with catalytic scandium triflate and a variety of nucleophiles results in the nucleophilic displacement of the Meldrum's acid moiety via a gramine-type fragmentation. The reaction is useful for the generation of