121935-06-6

Basic information

• Product Name: 1,3-Dioxane-4-carboxaldehyde,2,2-dimethyl-, (4S)-
• Synonyms: 1,3-Dioxane-4-carboxaldehyde,2,2-dimethyl-, (S)- (9CI)
• CAS NO: 121935-06-6
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.16838
• Product Categories: ALDEHYDE
• Mol File: 121935-06-6.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3-Dioxane-4-carboxaldehyde,2,2-dimethyl-, (4S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxane-4-carboxaldehyde,2,2-dimethyl-, (4S)-(121935-06-6)
• EPA Substance Registry System: 1,3-Dioxane-4-carboxaldehyde,2,2-dimethyl-, (4S)-(121935-06-6)

Safety Data

• Hazardous Substances Data: 121935-06-6(Hazardous Substances Data)

Usage

Appearance

Colorless liquid

Odor

Strong floral

Usage

Perfumes and fragrances

Application

Fragrance ingredient in various consumer products

Potential health risks

Sensitizer, can cause allergic reactions

Known irritant

Skin and eye irritant

Harmful effects

Can be harmful if ingested or inhaled

Safety precautions

Use products containing this chemical with caution and follow safety guidelines provided by manufacturers

Upstream product

• 32233-43-5 2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol 
• 204327-24-2 (S)-methyl 2,2-dimethyl-1,3-dioxane-4-carboxylate 

Downstream Products

• 1073130-98-9 3-((S)-2,2-dimethyl-1,3-dioxan-4-yl)-3-hydroxy-1-((4S,5R)-5-((4-methoxybenzyloxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylpropan-1-one 
• 1073131-03-9 3-((S)-2,2-dimethyl-1,3-dioxan-4-yl)-3-hydroxy-1-((4S,5R)-5-((4-methoxybenzyloxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylpropan-1-one 
• 1073130-95-6 (R)-1-(benzyloxy)-4-((S)-2,2-dimethyl-1,3-dioxan-4-yl)-4-hydroxy-3,3-dimethylbutan-2-one 

Relevant articles and documents

Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands

Design, synthesis, biological and X-ray crystallographic studies of a series of potent HIV-1 protease inhibitors are described. Various polar functionalities have been incorporated on the tetrahydropyranyl-tetrahydrofuran-derived P2 ligand to interact with the backbone atoms in the S2-subsite. The majority of the inhibitors showed very potent enzyme inhibitory and antiviral activity. Two high-resolution X-ray structures of 30b- and 30j-bound HIV-1 protease provide insight into ligand-binding site interactions. In particular, the polar functionalities on the P2-ligand appear to form unique hydrogen bonds with Gly48 amide NH and amide carbonyl groups in the flap region.

Diastereoselective synthesis of β-lactams via Kinugasa reaction of acyclic chiral nitrones

An approach to β-lactams via a Kinugasa reaction between chiral copper acetylides and chiral acyclic nitrones bearing either 1,3-dioxane or 1,3-dioxolane moieties is reported. The stereochemical preferences observed in these reactions are discussed. The reaction provides access to a variety of interesting β-lactam structures. Electronic circular dichroism in combination with NMR spectroscopy was shown to be a useful and effective method for the reliable determination of the absolute configuration of all components of a complex mixtures of azetidinones. The effectiveness of the chiral analysis of complex mixtures was demonstrated for HPLC coupled on-line with electronic circular dichroism detection as well.