4728-23-8

Basic information

• Product Name: 1,3-Dioxane-5-methanol,2-phenyl-(9CI)
• Synonyms: 1,3-Dioxane-5-methanol,2-phenyl-(9CI);2-Phenyl-[1,3]dioxan-4-yl-methanol
• CAS NO: 4728-23-8
• Molecular Formula: C11H14O3
• Molecular Weight: 194.229
• Product Categories: PHENYL
• Mol File: 4728-23-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 330.3±27.0 °C(Predicted)
• Appearance: /
• Density: 1.133±0.06 g/cm3(Predicted)
• PKA: 14.58±0.10(Predicted)
• CAS DataBase Reference: 1,3-Dioxane-5-methanol,2-phenyl-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dioxane-5-methanol,2-phenyl-(9CI)(4728-23-8)
• EPA Substance Registry System: 1,3-Dioxane-5-methanol,2-phenyl-(9CI)(4728-23-8)

Safety Data

• Hazardous Substances Data: 4728-23-8(Hazardous Substances Data)

Usage

Physical State

Colorless liquid

Odor

Faint

Primary Use

Solvent in various industrial processes and in the production of other chemicals

Hazardous Nature

Potential to cause skin and eye irritation

Additional Hazards

Potential to be harmful if ingested or inhaled

Safety Precautions

Handle with care and use appropriate safety measures when working with this chemical

Upstream product

• 115302-99-3 ethyl 6-phenyl-[1,5]-dioxane-3-carboxylic acid ester 
• 190191-51-6 cis-2-phenyl-5-carboxy-1,3-dioxane 
• 190191-49-2 2-phenyl-5,5-dicarboxy-1,3-dioxane 
• 71348-41-9 diethyl 6-phenyl-[1,5]-dioxane-3,3-dicarboxylic acid diester 
• 100-52-7 benzaldehyde 
• 190191-55-0 cis-2-phenyl-5-carbomethoxy-1,3-dioxane 
• 190191-53-8 trans-2-phenyl-5-carboxy-1,3-dioxane 
• 190191-57-2 trans-2-phenyl-5-carbomethoxy-1,3-dioxane 
• 86579-91-1 cis-(6-phenyl-[1,5]-dioxane-3-yl)methanol 
• 86579-90-0 2-phenyl-[1,3]dioxane-5-carboxylic acid methyl ester 
• 150994-99-3 cis/trans-2-phenyl-5-carboxy-1,3-dioxane 

Relevant articles and documents

PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF

Provided are prodrugs of (S) -or (R) -ketamine, including isotopically labeled ketamine,composition and uses thereof. Compounds having formula (Ia) or (Ib) as the prodrugs of (S) -or (R) -ketamine, including isotopically labeled ketamine, and pharmaceutical compositions comprising the compounds provided herein are used for treating or preventing a CNS disease.More particularly, the related diseases include depression and pain. (Ia) (Ib)

Conformational Analysis of 5-Substituted 1,3-Dioxanes. 7. Effect of Lithium Bromide Addition

The position of equilibria, established by means of BF3, between diastereomeric cis- and trans-5- substituted-2-phenyl-1,3-dioxanes, in solvents THF and CHCl3, and in the presence of 0, 1, and 10 equiv of LiBr has been determined. The observed ΔG° values show that the addition of salt to the reaction medium influences the position of equilibrium. Lithium bromide effects on the conformational behavior are discussed in terms of lithium ion complexation events that lead to increased stability of the axial isomers when the substituent at C(5) is CO2H, CO2CH3, CONHCH3, and CH2- OH. By contrast, disruption of the intramolecular hydrogen bond present in the axial 5-acetamido derivative (cis-9 substituent equal to NHCOCH3) modifies the preference for the axial conformation in salt-free 9 to a net dominance of the equatorial isomer in the presence of LiBr. Interpretation of the experimental observations was based on models that are apparently supported by semiempirical AM1 calculations. The results derived from the present study contribute to our understanding of the processes involved in molecular recognition and may model salt effects in physiological events.