41128-92-1

Basic information

• Product Name: 1,3-Dioxane, 5-(phenylmethoxy)-
• Synonyms: 5-benzyloxy-1,3-dioxane;cis-5-benzyloxy-1,3-dioxane
• CAS NO: 41128-92-1
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Mol File: 41128-92-1.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: 1,3-Dioxane, 5-(phenylmethoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxane, 5-(phenylmethoxy)-(41128-92-1)
• EPA Substance Registry System: 1,3-Dioxane, 5-(phenylmethoxy)-(41128-92-1)

Safety Data

• Hazardous Substances Data: 41128-92-1(Hazardous Substances Data)

Usage

Chemical class

Dioxanes are cyclic ethers.

Physical state

Colorless liquid.

Odor

Faint, sweet.

Common uses

a. Solvent in various industrial processes.
b. Stabilizer for chlorinated solvents.
c. Production of pharmaceuticals, cosmetics, and other consumer products.

Health risks

a. Potentially harmful to human health.
b. Known carcinogen.
c. May cause respiratory and skin irritations.

Environmental risks

May have negative impacts on the environment.

Regulatory status

a. Increasing regulatory scrutiny.
b. Efforts to limit its use and emissions.
Please note that this list is based on the provided material and may not cover all aspects of 1,3-Dioxane, 5-(phenylmethoxy)-.

Upstream product

• 50-00-0 formaldehyd 
• 100-44-7 benzyl chloride 
• 56-81-5 glycerol 
• 185552-86-7 2-Benzyloxy-3-(2-methoxy-ethoxymethoxy)-propan-1-ol 
• 14690-00-7 2-O-benzylglycerol 
• 100-39-0 benzyl bromide 
• 68728-34-7 5-benzyloxy-2-phenyl-1,3-dioxane 

Downstream Products

• 4740-78-7 glycerol formal 

Relevant articles and documents

Synthesis, structure, and transformations of cyclic glycerol formals

Glycerol reacts with paraformaldehyde to give a mixture of 4-hydroxymethyl-1,3-dioxolane and 5-hydroxy-1,3-dioxane. Some transformations (alkylation and replacement of the OH groups with the Cl atoms) of the synthesized compounds were performed. The differences in NMR and mass spectra of the corresponding 1,3-dioxolanes and 1,3-dioxanes were revealed and discussed.

Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: Design, synthesis, biological evaluation, and protein-ligand X-ray studies

We report the design, synthesis, and biological evaluation of a series of novel HIV-1 protease inhibitors. The inhibitors incorporate stereochemically defined flexible cyclic ethers/polyethers as high affinity P2-ligands. Inhibitors containing small ring 1,3-dioxacycloalkanes have shown potent enzyme inhibitory and antiviral activity. Inhibitors 3d and 3h are the most active inhibitors. Inhibitor 3d maintains excellent potency against a variety of multi-PI-resistant clinical strains. Our structure-activity studies indicate that the ring size, stereochemistry, and position of oxygens are important for the observed activity. Optically active synthesis of 1,3-dioxepan-5-ol along with the syntheses of various cyclic ether and polyether ligands have been described. A protein-ligand X-ray crystal structure of 3d-bound HIV-1 protease was determined. The structure revealed that the P2-ligand makes extensive interactions including hydrogen bonding with the protease backbone in the S2-site. In addition, the P2-ligand in 3d forms a unique water-mediated interaction with the NH of Gly-48.

PRODUCTS OF GLYCEROL CONDENSATION WITH ALDEHYDES

-