(2-Oxo-1,3-dioxolan-4-yl)methyl acetate

Base Information

• Chemical Name: (2-Oxo-1,3-dioxolan-4-yl)methyl acetate
• CAS No.: 1607-31-4
• Molecular Formula: C6H8O5
• Molecular Weight: 160.127
• DSSTox Substance ID: DTXSID80559440
• Nikkaji Number: J1.518.223G
• Mol file: 1607-31-4.mol

Synonyms:(2-oxo-1,3-dioxolan-4-yl)methyl acetate;1607-31-4;SCHEMBL1323996;DTXSID80559440;UCWHARBCMODQPN-UHFFFAOYSA-N

Chemical Property of (2-Oxo-1,3-dioxolan-4-yl)methyl acetate

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 160.03717335
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1COC(=O)O1

Technology Process of (2-Oxo-1,3-dioxolan-4-yl)methyl acetate

There total 2 articles about (2-Oxo-1,3-dioxolan-4-yl)methyl acetate 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:

triacetylglycerol (102-76-1) + carbonic acid dimethyl ester (616-38-6) → (2-oxo-1,3-dioxolan-4-yl)methyl acetate (1607-31-4) + acetic acid methyl ester (79-20-9)

Guidance literature:

sodium methylate; at 62 - 110 ℃; Product distribution / selectivity;

Reference yield:

1-bromo-butane (109-65-9) + carbon dioxide (124-38-9,18923-20-1) + acetic anhydride (108-24-7) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → (2-oxo-1,3-dioxolan-4-yl)methyl acetate (1607-31-4) + triacetylglycerol (102-76-1) + butyl (2-oxo-1,3-dioxolan-4-yl)methyl carbonate + 1-O-butoxycarbonyl-2,3-di-O-methylcarbonylglycerol + 1,3-di-O-butoxycarbonyl-2-O-methylcarbonylglycerol + 1,2-di-O-butoxycarbonyl-3-O-methylcarbonylglycerol + 1,2,3-tri-O-butoxycarbonylglycerol

Guidance literature:

carbon dioxide; glycerol; With N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; In 1-methyl-pyrrolidin-2-one; at 25 ℃; for 1h; under 5250.53 Torr; Autoclave;

1-bromo-butane; In 1-methyl-pyrrolidin-2-one; at 50 ℃; for 3h; Autoclave;

acetic anhydride; With dmap; triethylamine; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1055/s-0037-1610027

Reference yield:

(2-oxo-1,3-dioxolan-4-yl)methyl acetate (1607-31-4) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7) → acetic acid methyl ester (79-20-9) + (2-oxo-1,3-dioxolane-4-yl)methyl methacrylate (13818-44-5)

Guidance literature:

sodium methylate; at 75 - 110 ℃; Product distribution / selectivity;

upstream raw materials:

triacetylglycerol

carbonic acid dimethyl ester

1-bromo-butane

carbon dioxide

Downstream raw materials:

acetic acid methyl ester

(2-oxo-1,3-dioxolane-4-yl)methyl methacrylate

glyceryl carbonate octanoate