4-(4-Methylphenyl)-1,3-dioxane

Base Information

• Chemical Name: 4-(4-Methylphenyl)-1,3-dioxane
• CAS No.: 1078-29-1
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID90561756
• Nikkaji Number: J540.159C

Synonyms:4-(4-Methylphenyl)-1,3-dioxane;1078-29-1;SCHEMBL9188165;DTXSID90561756

Chemical Property of 4-(4-Methylphenyl)-1,3-dioxane

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CCOCO2

Technology Process of 4-(4-Methylphenyl)-1,3-dioxane

There total 4 articles about 4-(4-Methylphenyl)-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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) → 4-(4'-methylphenyl)-1,3-dioxane (128993-97-5,1078-29-1,128994-22-9,128994-23-0)

Guidance literature:

With 2,6-di-tert-butylphenoxy(difluoro)borane; In 1,4-dioxane; at 80 ℃; for 12h;

DOI:10.1055/s-2002-35645

Reference yield: 74.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + CH3C6H4CH(CH3)OH (536-50-5) → 4-(4'-methylphenyl)-1,3-dioxane (128993-97-5,1078-29-1,128994-22-9,128994-23-0)

Guidance literature:

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

DOI:10.1021/ol071356j

Reference yield:

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) → 4-(4'-methylphenyl)-1,3-dioxane (128993-97-5,1078-29-1,128994-22-9,128994-23-0)

Guidance literature:

With [NMP]3PMo; at 90 ℃; for 3h;

DOI:10.1039/c0gc00729c

upstream raw materials:

formaldehyd

1-ethenyl-4-methylbenzene

CH₃C₆H₄CH(CH₃)OH

Downstream raw materials:

3-hydroxy-1-(4'-methylphenyl)propan-1-one

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