Methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate

Base Information

• Chemical Name: Methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate
• CAS No.: 62054-77-7
• Molecular Formula: C10H14O6
• Molecular Weight: 230.218
• DSSTox Substance ID: DTXSID90462678
• Nikkaji Number: J1.919.994K
• Wikidata: Q82287245
• Mol file: 62054-77-7.mol

Synonyms:Methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate;62054-77-7;DTXSID90462678;1,3-Dioxane-5-propanoic acid, 2,2-dimethyl-4,6-dioxo-, methyl ester;s11688;Methyl3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate

Chemical Property of Methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate

Chemical Property:

• Melting Point: 78.0-79.5 °C
• Boiling Point: 408.7±30.0 °C(Predicted)
• PKA: 12.16±0.40(Predicted)
• PSA: 78.90000
• Density: 1.186±0.06 g/cm3(Predicted)
• LogP: 0.39190
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 230.07903816
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate ^*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)CCC(=O)OC)C

Technology Process of Methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate

There total 2 articles about Methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate 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) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate (62054-77-7)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; potassium carbonate; In acetonitrile; at 50 - 60 ℃; for 8h;

DOI:10.1016/j.tetlet.2005.09.030

Reference yield:

C10H12O7 → methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate (62054-77-7)

Guidance literature:

With sodium tetrahydroborate; acetic acid; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/adsc.200600355

Reference yield: 70.0%

C12H12O3 (406720-98-7) + methyl 3-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)propanoate (62054-77-7) → C19H20O6

Guidance literature:

With trifuran-2-yl-phosphane; palladium diacetate; In tetrahydrofuran; at 20 - 80 ℃; for 1h; Inert atmosphere;

DOI:10.1002/ejoc.201500337

upstream raw materials:

cycl-isopropylidene malonate

acrylic acid methyl ester

Downstream raw materials:

dimethyl 2-methylenepentanedioate

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