5-Ethyl-2-phenyl-1,3-dioxane-5-methanol

Base Information

• Chemical Name: 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol
• CAS No.: 22251-63-4
• Molecular Formula: C13H18 O3
• Molecular Weight: 222.284
• Hs Code.: 2932999099
• European Community (EC) Number: 244-867-5,617-341-1
• DSSTox Substance ID: DTXSID10944906,DTXSID101264056
• Nikkaji Number: J285.465A
• Mol file: 22251-63-4.mol

Synonyms:5-Ethyl-2-phenyl-1,3-dioxane-5-methanol;22251-63-4;(5-Ethyl-2-phenyl-1,3-dioxan-5-yl)methanol;EINECS 244-867-5;1,3-Dioxane-5-methanol, 5-ethyl-2-phenyl-;SCHEMBL4812907;DTXSID10944906;DTXSID101264056;AT35915;cis-5-Ethyl-2-phenyl-1,3-dioxane-5-methanol;(5-Ethyl-2-phenyl-1,3-dioxan-5-yl)methanol #;82494-20-0

Chemical Property of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol

Chemical Property:

• Vapor Pressure: 2.73E-05mmHg at 25°C
• Boiling Point: 343.2°Cat760mmHg
• Flash Point: 175.3°C
• PSA: 38.69000
• Density: 1.072g/cm³
• LogP: 2.12070
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(COC(OC1)C2=CC=CC=C2)CO

Technology Process of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol

There total 2 articles about 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 67.0%

1,1,1-tri(hydroxymethyl)propane (77-99-6) + benzaldehyde (100-52-7) → 2-phenyl-5-hydroxymethyl-5-ethyl-1,3-dioxacyclohexane (22251-63-4)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 100 ℃; for 16h;

DOI:10.1002/pola.28008

Reference yield:

→ 2-phenyl-5-hydroxymethyl-5-ethyl-1,3-dioxacyclohexane (22251-63-4)

Guidance literature:

Reference yield: 85.0%

2-phenyl-5-hydroxymethyl-5-ethyl-1,3-dioxacyclohexane (22251-63-4) + acryloyl chloride (814-68-6,25189-84-8) → 2-phenyl-5-ethyl-5-acryloxymethyl-1,3-dioxacyclohexane

Guidance literature:

With triethylamine; In dichloromethane; for 5h;

DOI:10.1002/pola.28008

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

benzaldehyde

Downstream raw materials:

2,2-bis(hydroxymethyl)butanoic acid

Refernces

• 1、 Saiz,Riande,Díaz-Calleja,Guzmán. "Molecular dynamics simulations of the time dependent dipolar correlation function for esters containing substituted 1,3-dioxacyclohexane rings in their structure". . p. 10949 - 10953. Retrieved 1997.