5-Methyl-2-oxo-1,3-dioxane-5-carboxylic acid

Base Information

• Chemical Name: 5-Methyl-2-oxo-1,3-dioxane-5-carboxylic acid
• CAS No.: 507471-78-5
• Molecular Formula: C6H8O5
• Molecular Weight: 160.127
• European Community (EC) Number: 870-594-1
• Nikkaji Number: J1.707.185H
• Mol file: 507471-78-5.mol

Synonyms:5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid;507471-78-5;1,3-Dioxane-5-carboxylicacid,5-methyl-2-oxo-(9CI);SCHEMBL846974;AKOS026727033;MCULE-9190689926;CS-0225093;5-methyl-2-oxo-1,3-dioxane-5-carboxylicacid;EN300-122662;F72156;Z1216826472

Chemical Property of 5-Methyl-2-oxo-1,3-dioxane-5-carboxylic acid

Chemical Property:

• PSA: 72.83000
• LogP: 0.24410
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 160.03717335
• Heavy Atom Count: 11
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-2-oxo-1,3-dioxane-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=O)OC1)C(=O)O

Technology Process of 5-Methyl-2-oxo-1,3-dioxane-5-carboxylic acid

There total 6 articles about 5-Methyl-2-oxo-1,3-dioxane-5-carboxylic acid 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%

2-methyl-2-(benzyloxycarbonyl)-1,3-trimethylene carbonate (247142-68-3) → 5-methyl-2-oxo-[1,3]dioxane-5-carboxylic acid (507471-78-5)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethyl acetate; at 20 ℃; for 24h; under 2280.15 Torr;

Reference yield: 99.0%

C5H10O4*C6H15N + 1,1'-carbonyldiimidazole (530-62-1) → 5-methyl-2-oxo-[1,3]dioxane-5-carboxylic acid (507471-78-5)

Guidance literature:

C₅H₁₀O₄*C₆H₁₅N; 1,1'-carbonyldiimidazole; at 20 ℃; for 0.0833333h;

With acetic acid; at 75 ℃; for 2h;

DOI:10.1021/acs.macromol.0c02880

Reference yield: 76.4%

C6H8O5*C6H15N → 5-methyl-2-oxo-[1,3]dioxane-5-carboxylic acid (507471-78-5)

Guidance literature:

With amberlyst-15; In tetrahydrofuran; at 20 ℃; for 5h;

upstream raw materials:

2-methyl-2-(benzyloxycarbonyl)-1,3-trimethylene carbonate

2,2-bis(hydroxymethyl)propionic acid

benzyl 2,2-bis(hydroxylmethyl)propionate

5-methyl-2-oxo-[1,3]dioxane-5-carboxylic acid chloride

Downstream raw materials:

propargyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate

C₆H₈O₅*C₂₀H₁₅N₃

C₁₅H₁₈N₂O₆

allyl 5-methyl-2-oxo-1,3-dioxane-5-carboxylate