Methyl 2-formyl-3-oxopropanoate

Base Information

• Chemical Name: Methyl 2-formyl-3-oxopropanoate
• CAS No.: 50427-65-1
• Molecular Formula: C5H6O4
• Molecular Weight: 130.09900
• Hs Code.: 2918300090
• UNII: 8M9K5LZ8K4
• DSSTox Substance ID: DTXSID30496871
• Nikkaji Number: J1.405.576B
• Wikidata: Q82346014
• Mol file: 50427-65-1.mol

Synonyms:Methyl 2-formyl-3-oxopropanoate;50427-65-1;METHYL 2-FORMYL-3-OXO-PROPIONATE;Methyl Diformylacetate;Methoxycarbonylmalonaldehyde;Propanoic acid, 2-formyl-3-oxo-, methyl ester;Methyl2-formyl-3-oxopropanoate;8M9K5LZ8K4;SCHEMBL7792286;DTXSID30496871;RTFMHSWZEMCDIM-UHFFFAOYSA-N;MFCD00015921;AKOS006283562;AT21341;SB37391;FT-0769586;EN300-1666521;A871567

Chemical Property of Methyl 2-formyl-3-oxopropanoate

Chemical Property:

• Boiling Point: 167.0±35.0 °C(Predicted)
• PKA: 0.54±0.10(Predicted)
• PSA: 60.44000
• Density: 1.187±0.06 g/cm3(Predicted)
• LogP: -0.82660
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 130.02660867
• Heavy Atom Count: 9
• Complexity: 121

Purity/Quality:

99%min ^*data from raw suppliers

methyl2-formyl-3-oxopropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C=O)C=O

Technology Process of Methyl 2-formyl-3-oxopropanoate

There total 1 articles about Methyl 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:

methyl 3,3-dimethoxypropionate (7424-91-1) + Methyl formate (107-31-3) → 2-Formyl-3-oxo-propionsaeure-methylester (50427-65-1)

Guidance literature:

methyl 3,3-dimethoxypropionate; Methyl formate; With sodium hydride; In diethyl ether;

With hydrogenchloride; In water;

DOI:10.3987/COM-14-12994

Reference yield:

2-Formyl-3-oxo-propionsaeure-methylester (50427-65-1) → C17H15NO3 (1632165-87-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / N,N-dimethyl-formamide

2: pyridine / N,N-dimethyl-formamide

With pyridine; triethylamine; In N,N-dimethyl-formamide;

DOI:10.3987/COM-14-12994

Reference yield:

2-Formyl-3-oxo-propionsaeure-methylester (50427-65-1) + (2R,6S)-2-Methoxy-6-methyl-3,6-dihydro-2H-pyran (80584-54-9,80584-55-0,116498-89-6) → sarracenin (59653-37-1)

Guidance literature:

With toluene-4-sulfonic acid; Multistep reaction; 1.) hexane, CH₂Cl₂, irradiation, 2.) CH₂Cl₂, 1 h;

DOI:10.1021/ja00368a054

upstream raw materials:

methyl 3,3-dimethoxypropionate

Methyl formate

Downstream raw materials:

sarracenin

(+/-)-sarracenin

(1S,3S,4S,8R,9R)-3-Methyl-2,7,11-trioxa-tricyclo[6.2.1.0^4,9]undec-5-ene-5-carboxylic acid methyl ester

(1S,3R,4S,8R,9R)-3-Methyl-2,7,11-trioxa-tricyclo[6.2.1.0^4,9]undec-5-ene-5-carboxylic acid methyl ester

Refernces