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

Base Information

• Chemical Name: 5-(4-Methoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
• CAS No.: 61958-46-1
• Molecular Formula: C14H16O5
• Molecular Weight: 264.278
• DSSTox Substance ID: DTXSID10349836
• Nikkaji Number: J363.495G
• Wikidata: Q82125342
• ChEMBL ID: CHEMBL1596109
• Mol file: 61958-46-1.mol

Synonyms:5-(4-methoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione;61958-46-1;5-[(4-methoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione;MLS000041809;CHEMBL1596109;SCHEMBL15569868;DTXSID10349836;QVRJFMPDKSMYSN-UHFFFAOYSA-N;HMS2298J15;MFCD05691600;STL348719;AKOS022116934;SMR000046606

Chemical Property of 5-(4-Methoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

Chemical Property:

• PSA: 61.83000
• LogP: 1.69000
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 264.09977361
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

5-(4-Methoxybenzyl)-2,2-dimethyl-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(OC(=O)C(C(=O)O1)CC2=CC=C(C=C2)OC)C

Technology Process of 5-(4-Methoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

There total 9 articles about 5-(4-Methoxybenzyl)-2,2-dimethyl-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: 92.0%

cycl-isopropylidene malonate (2033-24-1) + 4-methoxy-benzaldehyde (123-11-5) → 5-(4-methoxybenzyl)-2,2-dimethyl[1,3]dioxane-4,6-dione (61958-46-1)

Guidance literature:

With 2,6-dimethyl-1,4-dihydropyrimidine-3,5-dicarboxylic acid diethyl ester; L-proline; In ethanol; at 25 ℃;

DOI:10.1016/j.tetlet.2005.11.128

Reference yield: 46.0%

5-(4-methoxybenzyl)-2,2-dimethyl-5-(4-methylbenzyl)-1,3-dioxane-4,6-dione → p-methylanizole (104-93-8) + 5-(4-methoxybenzyl)-2,2-dimethyl[1,3]dioxane-4,6-dione (61958-46-1) + para-xylene (106-42-3) + 5-(4-methyl-benzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione (130296-61-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 65 ℃; for 24h; under 760.051 Torr; Sealed tube;

DOI:10.1002/adsc.201600535

Reference yield:

5-(2-methoxybenzyl)-5-(4-methoxybenzyl)-2,2-dimethyl-1,3-dioxane-4,6-dione → p-methylanizole (104-93-8) + 5-(4-methoxybenzyl)-2,2-dimethyl[1,3]dioxane-4,6-dione (61958-46-1) + 2-methylmethoxybenzene (578-58-5) + 5-(2-methoxybenzyl)-2,2-dimethyl[1,3]dioxane-4,6-dione (1030620-33-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 65 ℃; for 24h; under 760.051 Torr; Sealed tube;

DOI:10.1002/adsc.201600535

upstream raw materials:

cycl-isopropylidene malonate

4-methoxy-benzaldehyde

4-hydroxy-benzaldehyde

Downstream raw materials:

5,5'-Bis-(4-methoxy-benzyl)-2,2,2',2'-tetramethyl-[5,5']bi[[1,3]dioxanyl]-4,6,4',6'-tetraone

tert-butyl 2-(4-methoxybenzyl)acrylate

1-deuterio-3-(4-methoxyphenyl)-propanal

3-(4-methoxyphenyl)propional

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