Ethyl 2-formyl-3-oxopropanoate

Base Information

• Chemical Name: Ethyl 2-formyl-3-oxopropanoate
• CAS No.: 80370-42-9
• Molecular Formula: C6H8O4
• Molecular Weight: 144.127
• Hs Code.: 2918300090
• European Community (EC) Number: 632-882-3
• DSSTox Substance ID: DTXSID80452447
• Nikkaji Number: J1.806.390E
• Wikidata: Q72479353
• Mol file: 80370-42-9.mol

Synonyms:80370-42-9;ethyl 2-formyl-3-oxopropanoate;Ethyl-2-formyl-3-oxopropionate;Ethyl 2-formyl 3-oxopropanoate;2-FORMYL-3-OXO-PROPANOIC ACID ETHYL ESTER;Propanoic acid, 2-formyl-3-oxo-, ethyl ester;Ethyl 2-formyl-3-oxopropionate;2-Formyl-3-oxopropanoic Acid Ethyl Ester;ethoxycarbonylmalonaldehyde;2-FORMYL-3-OXOPROPIONIC ACID ETHYL ESTER;2-formyl-3-oxo-propionic acid ethyl ester;Propanoicacid,2-formyl-3-oxo-,ethylester;Ethyl Diformylacetate;carbethoxymalonaldehyde;ethyl 2,2-diformylacetate;ethyl2-formyl-3-oxopropanoate;SCHEMBL241537;Diformylacetic Acid Ethyl Ester;DTXSID80452447;HMFLBGNCDZYITR-UHFFFAOYSA-N;AMY10121;BCP10961;MFCD11112084;AKOS005137890;PB13383;Formyl-3-oxo-propionic acid ethyl ester;AS-10161;propanoic acid,2-formyl-3-oxo-,ethyl ester;E1128;FT-0648814;EN300-82965;A864697;J-509534

Chemical Property of Ethyl 2-formyl-3-oxopropanoate

Chemical Property:

• Vapor Pressure: 0.85mmHg at 25°C
• Refractive Index: 1.421
• Boiling Point: 181.475 °C at 760 mmHg
• PKA: 1.55±0.59(Predicted)
• Flash Point: 67.423 °C
• PSA: 60.44000
• Density: 1.143 g/cm³
• LogP: -0.43650
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform, Methanol
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 144.04225873
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99%min ^*data from raw suppliers

2-Formyl-3-oxopropanoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C=O)C=O
• Uses: Propanoicacid,2-formyl-3-oxo-,ethylester is used cyclocondensation reactions for the the preparation of heterocyclic compounds such as polyfunctionally substituted pyridines. 2-Formyl-3-oxopropanoic Acid Ethyl Ester is used cyclocondensation reactions for the preparation of heterocyclic compounds such as polyfunctionally substituted pyridines.

Technology Process of Ethyl 2-formyl-3-oxopropanoate

There total 5 articles about Ethyl 2-formyl-3-oxopropanoate 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: 100.0%

ethyl 3,3-diethoxypropanoate (10601-80-6) + formic acid ethyl ester (109-94-4) → ethyl 2-formyl-3-oxopropanoate (80370-42-9)

Guidance literature:

With sodium hydride; In diethyl ether; at 0 - 20 ℃; for 15h;

Reference yield: 80.0%

3,3-diethoxypropionic acid methyl ester + formic acid ethyl ester (109-94-4) → ethyl 2-formyl-3-oxopropanoate (80370-42-9)

Guidance literature:

With sodium hydride; In diethyl ether; mineral oil; at -10 - 20 ℃; for 21h; Inert atmosphere;

DOI:10.1021/jm500432n

Reference yield:

methyl 3,3-dimethoxypropionate (7424-91-1) → ethyl 2-formyl-3-oxopropanoate (80370-42-9)

Guidance literature:

formic acid ethyl ester; With sodium hydride; In diethyl ether; at 0 ℃; Argon atmosphere;

methyl 3,3-dimethoxypropionate; at 0 - 20 ℃; for 1.66667h; Argon atmosphere;

With water;

upstream raw materials:

ethyl 3,3-diethoxypropanoate

methyl 3,3-dimethoxypropionate

formic acid ethyl ester

Downstream raw materials:

ethyl isoxazole-4-carboxylate

1-anilino-3-phenyliminopropene

1-ethoxyphthalazine

2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

Refernces

• 1、 -. "Method for preparing 2-formyl-3-ethyl oxopropionate". Paragraph 0007; 0022; 0023. . Retrieved 2017/09/01.
• 2、 -. "BMP INHIBITORS AND METHODS OF USE THEREOF". Page/Page column 67. . Retrieved 2014/10/15.