2,2-Dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione

Base Information

• Chemical Name: 2,2-Dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione
• CAS No.: 15795-51-4
• Molecular Formula: C14H14 O4
• Molecular Weight: 246.263
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50394244
• Nikkaji Number: J1.271.423H
• Mol file: 15795-51-4.mol

Synonyms:15795-51-4;2,2-Dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione;2,2-dimethyl-5-[(4-methylphenyl)methylidene]-1,3-dioxane-4,6-dione;2,2-dimethyl-5-[(4-methylphenyl)methylene]-1,3-dioxane-4,6-dione;SCHEMBL17199432;DTXSID50394244;LWXAMCVRKGTPEK-UHFFFAOYSA-N;1,3-Dioxane-4,6-dione,2,2-dimethyl-5-[(4-methylphenyl)methylene]-;MFCD00128563;AKOS005096811;CS-0328633;FT-0689869;6B-092;2-(4-Methylbenzylidene)malonic acid isopropylidene ester;2,2-Dimethyl-5-(4-methylphenyl)methylene-1,3-dioxane-4,6-dione

Chemical Property of 2,2-Dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione

Chemical Property:

• Melting Point: 113-115℃
• PSA: 52.60000
• Density: 1.207
• LogP: 2.21450
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 246.08920892
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Dimethyl-5-[(4-methylphenyl)methylidene]-1,3-dioxane-4,6-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C=C2C(=O)OC(OC2=O)(C)C

Technology Process of 2,2-Dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione

There total 8 articles about 2,2-Dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione 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: 99.0%

cycl-isopropylidene malonate (2033-24-1) + 4-methyl-benzaldehyde (104-87-0) → 2,2-dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione (15795-51-4)

Guidance literature:

With bentonite; In water; at 90 ℃; Green chemistry;

DOI:10.2174/1570178617999200807155325

Reference yield: 94.0%

cycl-isopropylidene malonate (2033-24-1) + N-(4-methylbenzylidene)aniline oxide (19865-55-5) → 2,2-dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione (15795-51-4)

Guidance literature:

In ethanol; for 0.416667h; Reflux; Green chemistry;

Reference yield:

pyridine (110-86-1) + cycl-isopropylidene malonate (2033-24-1) + 4-methyl-benzaldehyde (104-87-0) + α-bromoacetophenone (70-11-1) → 2,2-dimethyl-5-(4-methylbenzylidene)-1,3-dioxane-4,6-dione (15795-51-4) + N-phenacylpyridinium bromide (16883-69-5)

Guidance literature:

In acetonitrile; at 20 ℃;

DOI:10.1021/cc900161z

upstream raw materials:

cycl-isopropylidene malonate

4-methyl-benzaldehyde

pyridine

α-bromoacetophenone

Downstream raw materials:

2,4-Bis(4'-methylbenzyliden)cyclobutan-1,3-dion

6,6-Dimethyl-1-(4-methyl-benzyl)-5,7-dioxa-spiro[2.5]octane-4,8-dione

6,6-Dimethyl-1-p-tolyl-5,7-dioxa-spiro[2.5]octane-4,8-dione

5-(4-methyl-benzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione