4-Methyl-4-phenyl-1,3-dioxane

Base Information

• Chemical Name: 4-Methyl-4-phenyl-1,3-dioxane
• CAS No.: 1200-73-3
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• European Community (EC) Number: 214-854-9
• NSC Number: 345693
• DSSTox Substance ID: DTXSID40870865
• Nikkaji Number: J217.044B
• Mol file: 1200-73-3.mol

Synonyms:4-methyl-4-phenyl-1,3-dioxane

Chemical Property of 4-Methyl-4-phenyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.0216mmHg at 25°C
• Boiling Point: 258.9°Cat760mmHg
• Flash Point: 113.8°C
• Density: 1.041g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCOCO1)C2=CC=CC=C2

Technology Process of 4-Methyl-4-phenyl-1,3-dioxane

There total 14 articles about 4-Methyl-4-phenyl-1,3-dioxane 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: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 4-methyl-4-phenyl-1,3-dioxane (1200-73-3)

Guidance literature:

With sulfuric acid; silica gel; In water; at 90 ℃; for 4h;

DOI:10.1021/ol071356j

Reference yield: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-methyl-1-phenylethyl alcohol (617-94-7) → 4-methyl-4-phenyl-1,3-dioxane (1200-73-3)

Guidance literature:

With sulfuric acid; silica gel; In water; at 90 ℃; for 4.5h;

DOI:10.1021/ol071356j

Reference yield: 86.0%

1-methyl-1-phenylethyl alcohol (617-94-7) + acetaldehyde (75-07-0,9002-91-9) → 4-methyl-4-phenyl-1,3-dioxane (1200-73-3)

Guidance literature:

With para-dodecylbenzenesulfonic acid; In water; at 90 ℃; for 4h;

DOI:10.1080/00397911.2010.538891

upstream raw materials:

formaldehyd

isopropenylbenzene

acetaldehyde

propionaldehyde

Downstream raw materials:

2-Isopropyl-2-methyl-4-phenyl-3,6-dihydro-2H-pyran

6-Isopropyl-6-methyl-4-phenyl-3,6-dihydro-2H-pyran

4-phenyl-5,6-dihydro-2H-pyran

2-Butyl-4-phenyl-3,6-dihydro-2H-pyrane