5-Ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione

Base Information

• Chemical Name: 5-Ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione
• CAS No.: 17216-65-8
• Molecular Formula: C8H12O4
• Molecular Weight: 172.181
• DSSTox Substance ID: DTXSID10396007
• Nikkaji Number: J612.321J
• Wikidata: Q82196448
• Mol file: 17216-65-8.mol

Synonyms:5-ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione;17216-65-8;SCHEMBL6059323;DTXSID10396007;WQKUXPKKSOULRP-UHFFFAOYSA-N;MFCD00956308;AKOS024055888;2,2-dimethyl-5-ethyl-1,3-dioxane4,6-dione;EN300-198675;2,2-Dimethyl-5-ethyl-1,3-dioxane-4,6-dione;5-ethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione;Z1416168834

Chemical Property of 5-Ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 199

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)OC(OC1=O)(C)C

Technology Process of 5-Ethyl-2,2-dimethyl-1,3-dioxane-4,6-dione

There total 1 articles about 5-Ethyl-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:

cycl-isopropylidene cyclopropane-1,1-dicarboxylate (5617-70-9) → 5-ethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione (17216-65-8) + 2-hydroxymethyl-butyric acid (4374-62-3)

Guidance literature:

With samarium diiodide; water; In tetrahydrofuran; at 23 ℃; for 0.25h; Inert atmosphere;

DOI:10.1039/c4cc03216k

Reference yield: 69.0%

5-ethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione (17216-65-8) + 4-methoxyphenyllead(IV) triacetate (18649-43-9) → 5-ethyl-5-(p-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-4,6-dione (74610-76-7)

Guidance literature:

With pyridine; In chloroform; at 40 ℃; for 4h;

Reference yield: 46.0%

5-ethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione (17216-65-8) + aniline (62-53-3) → 2-ethyl-N-phenyl-malonamic acid (15601-90-8)

Guidance literature:

5-ethyl-2,2-dimethyl-[1,3]dioxane-4,6-dione; aniline; at 60 ℃; for 15h;

With hydrogenchloride; In water;

DOI:10.1021/ja412996f

upstream raw materials:

cycl-isopropylidene cyclopropane-1,1-dicarboxylate

Downstream raw materials:

5-ethyl-2,2-dimethyl-5-quinolin-4-yl-[1,3]dioxane-4,6-dione

5-ethyl-5-(p-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-4,6-dione

2-ethyl-N-phenyl-malonamic acid

C₁₆H₁₉NO₂S