5-Acetyl-5-methyl-1,3-dioxane

Base Information

• Chemical Name: 5-Acetyl-5-methyl-1,3-dioxane
• CAS No.: 3495-19-0
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• DSSTox Substance ID: DTXSID30408777
• Nikkaji Number: J2.512.859A
• Wikidata: Q82214370
• Mol file: 3495-19-0.mol

Synonyms:5-acetyl-5-methyl-1,3-dioxane;3495-19-0;SCHEMBL9339249;DTXSID30408777;UHJLFCXOYRLBEO-UHFFFAOYSA-N;AKOS021984684;1-(5-METHYL-1,3-DIOXAN-5-YL)ETHAN-1-ONE

Chemical Property of 5-Acetyl-5-methyl-1,3-dioxane

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(COCOC1)C

Technology Process of 5-Acetyl-5-methyl-1,3-dioxane

There total 5 articles about 5-Acetyl-5-methyl-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: 30.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + butanone (78-93-3) → methyl 5-methyl-1,3-dioxan-5-yl ketone (3495-19-0)

Guidance literature:

With polystyrenesulfonic acid; In water; at 120 ℃; for 0.5h; under 2068.65 - 3620.13 Torr; microwave irradiation;

DOI:10.1021/jo701337j

Reference yield:

3-oxo-2,2-bis-(hydroxymethyl)butane (6868-97-9) + iodine (7553-56-2,12190-71-5,8031-47-8) → 3-Methyl-3-buten-2-one (814-78-8,25988-32-3) + methyl 5-methyl-1,3-dioxan-5-yl ketone (3495-19-0)

Guidance literature:

bei der Destillation unter Athmosphaerendruck;

DOI:10.1039/jr9370000841

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-oxo-2,2-bis-(hydroxymethyl)butane (6868-97-9) → methyl 5-methyl-1,3-dioxan-5-yl ketone (3495-19-0)

Guidance literature:

With iodine;

DOI:10.1039/jr9370000841

upstream raw materials:

formaldehyd

3-oxo-2,2-bis-(hydroxymethyl)butane

iodine

butanone

Downstream raw materials:

1-(5-methyl-[1,3]dioxan-5-yl)-ethanone-(2,4-dinitro-phenylhydrazone)

3-dibenzylamino-1-(5-methyl-[1,3]dioxan-5-yl)-propan-1-one

5-methyl-5-(α-methyl-α-hydroxyethyl)-1,3-dioxane

5-methyl-5-(α-hydroxyethyl)-1,3-dioxane

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