Diethyl 2-formylsuccinate

Base Information

• Chemical Name: Diethyl 2-formylsuccinate
• CAS No.: 5472-38-8
• Molecular Formula: C9H14 O5
• Molecular Weight: 202.207
• Hs Code.: 2918300090
• European Community (EC) Number: 858-945-7
• NSC Number: 27890
• DSSTox Substance ID: DTXSID90282752
• Nikkaji Number: J46.902E
• Mol file: 5472-38-8.mol

Synonyms:diethyl 2-formylsuccinate;5472-38-8;diethyl 2-formylbutanedioate;DIETHYL FORMYLSUCCINATE;1,4-DIETHYL 2-FORMYLBUTANEDIOATE;Butanedioic acid, formyl-, diethyl ester;MFCD00056287;NSC27890;diethyl2-formylsuccinate;diethyl-2-formylsuccinate;diethyl (RS)-formylsuccinate;SCHEMBL271883;DTXSID90282752;2-Formylsuccinic acid diethyl ester;AMY20455;2-Formyl-succinic acid diethyl ester;BBL028069;NSC 27890;NSC-27890;STL249273;AKOS024255912;NS-02072;CS-0140696;EN300-84972

Chemical Property of Diethyl 2-formylsuccinate

Chemical Property:

• Vapor Pressure: 0.00363mmHg at 25°C
• Refractive Index: 1.4486 (estimate)
• Boiling Point: 281.1°Cat760mmHg
• PKA: 6.85±0.59(Predicted)
• Flash Point: 119.9°C
• PSA: 69.67000
• Density: 1.112g/cm³
• LogP: 0.31780
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 202.08412354
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethyl2-Formylsuccinate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C=O)C(=O)OCC

Technology Process of Diethyl 2-formylsuccinate

There total 7 articles about Diethyl 2-formylsuccinate 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%

formic acid ethyl ester (109-94-4) + succinic acid diethyl ester (123-25-1) → diethyl 2-formylbutanedioate (5472-38-8)

Guidance literature:

With sodium; In diethyl ether; at 40 ℃; for 5h;

Reference yield:

→ diethyl 2-formylbutanedioate (5472-38-8)

Guidance literature:

With dicobalt octacarbonyl; carbon monoxide; hydrogen; at 125 - 150 ℃; Unter Druck;

Reference yield:

Diethyl maleate (141-05-9) → diethyl 2-formylbutanedioate (5472-38-8)

Guidance literature:

With 1,4-dioxane; hydrogen; magnesium oxide; thorium dioxide; cobalt; at 140 - 160 ℃; under 110326 - 183877 Torr;

upstream raw materials:

aconic acid

ethanol

formic acid ethyl ester

succinic acid diethyl ester

Downstream raw materials:

ethyl 2-(4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate

anilinomethylene-succinic acid diethyl ester

uracil-5-ylacetic acid

(3,4,3',4'-tetramethoxy-benzhydryl)-succinic acid

Refernces

• 1、 -. "Synthesis method of thiazolidinopyrimidinone acetic acid". Paragraph 0024-0026; 0030-0032; 0035-0037. . Retrieved 2021/11/10.
• 2、 -. "Insecticide dinotefuran intermediate 3 - hydroxy methyl tetrahydrofuran synthetic method". Paragraph 0031; 0045; 0046; 0047. . Retrieved 2018/04/01.