Propanoic acid, 3-(acetyloxy)-, methyl ester

Base Information

• Chemical Name: Propanoic acid, 3-(acetyloxy)-, methyl ester
• CAS No.: 38003-42-8
• Molecular Formula: C6H10O4
• Molecular Weight: 146.143
• DSSTox Substance ID: DTXSID20463633
• Nikkaji Number: J2.160.842D
• Mol file: 38003-42-8.mol

Synonyms:38003-42-8;methyl 3-acetoxypropanoate;Propanoic acid, 3-(acetyloxy)-, methyl ester;SCHEMBL2979211;DTXSID20463633;AKOS040768178

Chemical Property of Propanoic acid, 3-(acetyloxy)-, methyl ester

Chemical Property:

• PSA: 52.60000
• LogP: 0.11260
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC(=O)OC

Technology Process of Propanoic acid, 3-(acetyloxy)-, methyl ester

There total 5 articles about Propanoic acid, 3-(acetyloxy)-, methyl ester 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:

methanol (67-56-1) + vinyl acetate (108-05-4,9003-20-7) + carbon monoxide (201230-82-2) → 1,1-dimethoxyethane (534-15-6) + acetic acid methyl ester (79-20-9) + methyl β-acetoxypropionate (38003-42-8) + methyl 2-acetoxypropionate (6284-75-9)

Guidance literature:

With aluminium(III) triflate; palladium diacetate; triphenylphosphine; In toluene; at 20 - 100 ℃; for 15h; under 37503.8 Torr; regioselective reaction; Autoclave;

Reference yield:

methanol (67-56-1) + vinyl acetate (108-05-4,9003-20-7) + carbon monoxide (201230-82-2) → 1,1-dimethoxyethane (534-15-6) + methyl lactate (547-64-8,2155-30-8) + acetic acid methyl ester (79-20-9) + methyl β-acetoxypropionate (38003-42-8) + methyl 2-acetoxypropionate (6284-75-9)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; triphenylphosphine; citric acid; In toluene; at 20 - 100 ℃; for 15h; under 37503.8 Torr; regioselective reaction; Autoclave;

Reference yield:

methanol (67-56-1) + vinyl acetate (108-05-4,9003-20-7) + carbon monoxide (201230-82-2) → methyl lactate (547-64-8,2155-30-8) + methyl ester (3-hydroxy) propionic acid (6149-41-3) + methyl β-acetoxypropionate (38003-42-8) + methyl 2-acetoxypropionate (6284-75-9)

Guidance literature:

With Wang resin-SO₃H; 1,2-bis[di(t-butyl)phosphinomethyl]benzene; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; at 60 ℃; for 1.5h; under 4560 Torr; Further Variations:; Reagents; Temperatures; Pressures; time; Product distribution;

DOI:10.1039/b414646h

upstream raw materials:

bis-(3-methoxycarbonyl-propionyl)-peroxide

acetic acid

methanol

vinyl acetate

Downstream raw materials:

3-hydroxypropionic acid

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