111934-93-1

Basic information

• Product Name: 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester
• Synonyms: 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester;5,5-dimethyl 2,2-dimethyl-1,3-dioxane-5,5-dicarboxylate
• CAS NO: 111934-93-1
• Molecular Formula: C₁₀H₁₆O₆
• Molecular Weight: 232.23044
• Product Categories: Heterocycles;Intermediates;Heterocycles, Intermediates
• Mol File: 111934-93-1.mol

Chemical Properties

• Boiling Point: 238.126°C at 760 mmHg
• Flash Point: 94.88°C
• Appearance: /
• Density: 1.158g/cm³
• Vapor Pressure: 0.043mmHg at 25°C
• Refractive Index: 1.439
• Solubility: Dichloromethane, Ethyl Acetate, Methanol
• CAS DataBase Reference: 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester(111934-93-1)
• EPA Substance Registry System: 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester(111934-93-1)

Safety Data

• Hazardous Substances Data: 111934-93-1(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester is used as a synthetic intermediate for the production of various organic compounds. Its unique structure allows it to be a versatile building block in the synthesis of complex molecules, particularly in the pharmaceutical, agrochemical, and specialty chemical industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester is used as a key component in the development of new drugs. Its chemical properties make it suitable for the synthesis of novel drug candidates with potential therapeutic applications.
Used in Agrochemical Industry:
2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester is also utilized in the agrochemical industry for the synthesis of new pesticides and other crop protection agents. Its incorporation into these products can lead to improved efficacy and reduced environmental impact.
Used in Specialty Chemical Industry:
In the specialty chemical industry, 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester is employed in the production of high-value chemicals with specific applications, such as advanced materials, dyes, and additives.
Overall, 2,2-Dimethyl-1,3-dioxane-5,5-dicarboxylic Acid Dimethyl Ester is a valuable compound in the field of organic synthesis, with applications spanning across various industries due to its unique chemical properties and structural features.

InChI:InChI=1/C10H16O6/c1-9(2)15-5-10(6-16-9,7(11)13-3)8(12)14-4/h5-6H2,1-4H3

Upstream product

• 35329-73-8 dimethyl 2,2-bis(hydroxymethyl)malonate 
• 67-64-1 acetone 
• 108-59-8 malonic acid dimethyl ester 
• 77-76-9 2,2-dimethoxy-propane 

Downstream Products

• 4728-12-5 2,2-dimethyl-5-hydroxymethyl-1,3-dioxane 
• 1027196-80-0 2-(4-{2-[[2-(tert-Butyl-diphenyl-silanyloxy)-ethyl]-(1-ethyl-cyclopentyl)-carbamoyl]-phenyl}-2-hydroxy-butyl)-N-(2,2-dimethyl-[1,3]dioxan-5-ylmethyl)-5-methyl-N-(1-methyl-1-phenyl-ethyl)-benzamide 
• 1026429-40-2 2-(4-{2-[[2-(tert-Butyl-diphenyl-silanyloxy)-ethyl]-(1-ethyl-cyclopentyl)-carbamoyl]-phenyl}-2-oxo-butyl)-N-(2,2-dimethyl-[1,3]dioxan-5-ylmethyl)-5-methyl-N-(1-methyl-1-phenyl-ethyl)-benzamide 
• 179096-72-1 N-(1-ethylcyclopentyl)-[2-(4-{2-[(2,2-dimethyl[1,3]dioxan-5-yl)methyl](1-methyl-1-phenylethyl)carbamoyl}-4-methylphenyl)-3-hydroxybutyl]-N-(2-hydroxyethyl)benzamide 
• 179096-68-5 N-(2,2-Dimethyl-[1,3]dioxan-5-ylmethyl)-2,5-dimethyl-N-(1-methyl-1-phenyl-ethyl)-benzamide 
• 179096-67-4 (2,2-Dimethyl-[1,3]dioxan-5-ylmethyl)-(1-methyl-1-phenyl-ethyl)-amine 
• 155818-14-7 methyl 2,2-dimethyl-1,3-dioxane-5-carboxylate 

Relevant articles and documents

Enzyme assisted syntheses of chiral building blocks for isosters of diglycerides, phospholipids and PAF

Lipase catalyzed desymmetrizations of suitably substituted, achiral 1,3-diols lead to the corresponding chiral building blocks of high enantiomeric purities, starting materials for the synthesis of isosteric carba-analogues of 1,2-sn-diglycerides and phospholipids with interesting biological activities. Lipase catalyzed resolutions of the corresponding ether derivatives lead to the corresponding building blocks for carba-analogues of PAF.

Bis tertiary amide inhibitors of the HIV-1 protease generated via protein structure-based iterative design

A series of potent nonpeptide inhibitors of the HIV protease have been identified. Using the structure of compound 3 bound to the HIV protease, his tertiary amide inhibitor 9 was designed and prepared. Compound 9 was found to be about 17 times more potent than 3, and the structure of the protein- ligand complex of 9 revealed the inhibitor binds in an inverted binding mode relative to 3. Examination of the protein-ligand complex of 9 suggested several modifications in the P1 and P1' pockets. Through these modifications it was possible to improve the activity of the inhibitors another 100-fold, highlighting the utility of crystallographic feedback in inhibitor design. These compounds were found to have good antiviral activity in cell culture, were selective for the HIV protease, and were orally available in three animal models.