2-Hydroxyethyl acetoacetate

Base Information

• Chemical Name: 2-Hydroxyethyl acetoacetate
• CAS No.: 33736-01-5
• Molecular Formula: C6H10O4
• Molecular Weight: 146.143
• European Community (EC) Number: 251-662-4
• DSSTox Substance ID: DTXSID50187411
• Nikkaji Number: J308.533C
• Wikidata: Q83059110
• Mol file: 33736-01-5.mol

Synonyms:2-Hydroxyethyl acetoacetate;2-Hydroxyethyl 3-oxobutanoate;33736-01-5;EINECS 251-662-4;Butanoic acid, 3-oxo-, 2-hydroxyethyl ester;2-Hydroxyethyl3-oxobutanoate;ethyleneglycol monoacetoacetate;SCHEMBL711497;2-hydroxyethyl 3-oxo-butyrate;2-Hydroxyethyl 3-oxobutanoate #;DTXSID50187411;3-Oxobutanoic acid 2-hydroxyethyl ester;3-Oxobutyric acid, 2-hydroxyethyl ester;EN300-7645137;Z1255385954

Chemical Property of 2-Hydroxyethyl acetoacetate

Chemical Property:

• Vapor Pressure: 0.000753mmHg at 25°C
• Boiling Point: 273.1°Cat760mmHg
• Flash Point: 113.9°C
• Density: 1.162g/cm³
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)OCCO

Technology Process of 2-Hydroxyethyl acetoacetate

There total 6 articles about 2-Hydroxyethyl acetoacetate 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: 89.0%

ethyl acetoacetate (141-97-9) + ethylene glycol (107-21-1) → mono(acetoacetate)ethylene glycol (33736-01-5)

Guidance literature:

for 0.166667h; microwave irradiation;

DOI:10.1081/SCC-200054750

Reference yield: 85.0%

isopropyl acetoacetate (542-08-5) + ethylene glycol (107-21-1) → mono(acetoacetate)ethylene glycol (33736-01-5)

Guidance literature:

for 0.2h; microwave irradiation;

DOI:10.1081/SCC-200054750

Reference yield: 84.0%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + ethylene glycol (107-21-1) → ethane-1,2-diylbis(3-oxobutanoate) (5459-04-1) + mono(acetoacetate)ethylene glycol (33736-01-5)

Guidance literature:

With triethylamine; at 95 ℃; for 3h;

DOI:10.1021/jm960531r

upstream raw materials:

4-methyleneoxetan-2-one

ethylene glycol

ethyl acetoacetate

2,2,6-trimethyl-4H-1,3-dioxin-4-one

Downstream raw materials:

2-hydroxyethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

2-(4-Toluenesulfonyloxy)-ethyl-3-trimethylsilyloxy-but-2-enoate

2-(4-Toluenesulfonyloxy)-ethyl-3-trimethylsilyloxy-but-2-enoate

2-(4-Toluenesulfonyloxy)-ethyl acetoacetate