2-Formylpropionic Acid Ethyl Ester

Base Information

• Chemical Name: 2-Formylpropionic Acid Ethyl Ester
• CAS No.: 27772-62-9
• Molecular Formula: C6H10 O3
• Molecular Weight: 130.144
• Hs Code.: 2918300090
• European Community (EC) Number: 672-708-3
• DSSTox Substance ID: DTXSID80447535
• Nikkaji Number: J323.640D
• Mol file: 27772-62-9.mol

Synonyms:27772-62-9;ethyl 2-methyl-3-oxopropanoate;2-Formylpropionic Acid Ethyl Ester;Ethyl 2-Formylpropionate;2-Formylproponic acid ethyl;Propanoic acid, 2-methyl-3-oxo-, ethyl ester;ethyl 2-formylpropanoate;Ethyl-2-formylpropionate;ethyl a-formylpropionate;ethyl 2-formyl-propionate;ethyl alpha-formylpropionate;ethyl2-methyl-3-oxopropanoate;formylpropionic acid ethylester;SCHEMBL524836;DTXSID80447535;VVCYNVCCODBCOE-UHFFFAOYSA-N;CBA77262;MFCD00044012;alpha-formylpropionic acid ethyl ester;AKOS006228778;2-PHENYL-MALONICACIDMONOETHYLESTER;2-FORMYLPROPANOIC ACID ETHYL ESTER;AS-50287;2-Methyl-3-oxo-propionic acid ethyl ester;F0411;FT-0638722;O11759;A934224

Chemical Property of 2-Formylpropionic Acid Ethyl Ester

Chemical Property:

• Vapor Pressure: 2.55mmHg at 25°C
• Refractive Index: 1.408
• Boiling Point: 159°C at 760 mmHg
• PKA: 8.15±0.29(Predicted)
• Flash Point: 53.9°C
• PSA: 43.37000
• Density: 1,09 g/cm3
• LogP: 0.38450
• Storage Temp.: Freezer
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 109

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2-methyl-3-oxopropanoate ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)C=O

Technology Process of 2-Formylpropionic Acid Ethyl Ester

There total 8 articles about 2-Formylpropionic Acid Ethyl 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: 14.0%

carbon monoxide (201230-82-2) + ethyl acrylate (140-88-5,9003-32-1) → ethyl 2-formylpropionate (27772-62-9) + ethyl 4-oxobutanoate (10138-10-0)

Guidance literature:

With hydrogen; [(cod)Rh(hfacac)]; In CO₂ (carbon dioxide); at 20 - 60 ℃; for 20h; under 33753.4 Torr;

Reference yield:

methanol (67-56-1) + diethyl oxalpropionate (759-65-9) → ethyl 2-formylpropionate (27772-62-9) + methyl 2-methyl-3-oxopropanoate (51673-64-4) + methyl 2-oxobutanoate (3952-66-7) + ethyl 3-methyl-2-oxobutanoate (20201-24-5)

Guidance literature:

With water; Product distribution; Mechanism; Heating;

DOI:10.1021/jo00298a037

Reference yield:

ethyl acrylate (140-88-5,9003-32-1) → ethyl 2-formylpropionate (27772-62-9) + Ethyl propionate (105-37-3,20741-13-3) + 3-hydroxy-2-methyl-propionic acid ethyl ester (89534-52-1) + 4-ethoxycarbonyl-4-methyl-δ-valerolactone

Guidance literature:

With hydrogen; {HRu(CO)4}-; In N,N-dimethyl-formamide; at 100 ℃; for 16.5h; under 228000 Torr; Further byproducts given;

DOI:10.1016/0022-328X(88)83126-7

upstream raw materials:

carbon monoxide

ethyl acrylate

hydrogenchloride

ethyl 3,3-diethoxy-2-methylpropionate

Downstream raw materials:

2-ethylthio-3,4-dihydro-5-methylpyrimidin-4-one

cyclohexylmethyl 2-methyl-3-oxopropionate

ethyl pyruvate phenylhydrazone

3-hydroxy-2-methyl-propionic acid ethyl ester