Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester

Base Information

• Chemical Name: Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester
• CAS No.: 41117-77-5
• Molecular Formula: C12H20 O5
• Molecular Weight: 244.288
• Hs Code.: 2918300090
• European Community (EC) Number: 255-225-9
• DSSTox Substance ID: DTXSID60884681
• Nikkaji Number: J294.834F
• Mol file: 41117-77-5.mol

Synonyms:41117-77-5;Diethyl 2-butanoylbutanedioate;Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester;Diethyl butyryl succinate;2-BUTYRYL-SUCCINIC ACID DIETHYL ESTER;diethyl 2-butyrylsuccinate;Diethyl (1-oxobutyl)succinate;Butanedioic acid, (1-oxobutyl)-, diethyl ester;EINECS 255-225-9;2-Butyrylsuccinic acid diethyl ester;4117-77-5;SCHEMBL10843736;DTXSID60884681;2-butanoyl-butanedioic acid diethyl ester

Chemical Property of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester

Chemical Property:

• Vapor Pressure: 0.000204mmHg at 25°C
• Boiling Point: 327.3°Cat760mmHg
• Flash Point: 140.7°C
• PSA: 23.28000
• Density: 1.057g/cm³
• LogP: 5.86340
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 244.13107373
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester

There total 6 articles about Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl 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: 96.0%

butyraldehyde (123-72-8) + diethyl Fumarate (623-91-6) → 2-butyrylsuccinic acid diethyl ester (41117-77-5)

Guidance literature:

With 2,3,3,4,4,5-hexamethyl-2-hexanethiol; trans-di-O-tert-butyl hyponitrite; In 1,4-dioxane; at 60 ℃; for 3.5h;

Reference yield: 93.0%

butyraldehyde (123-72-8) + Diethyl maleate (141-05-9) → 2-butyrylsuccinic acid diethyl ester (41117-77-5)

Guidance literature:

With 2,3,3,4,4,5-hexamethyl-2-hexanethiol; trans-di-O-tert-butyl hyponitrite; In 1,4-dioxane; at 60 ℃; for 3h;

Reference yield: 88.0%

butyraldehyde (123-72-8) + but-2-enedioic acid diethyl ester (1520-50-9) → 2-butyrylsuccinic acid diethyl ester (41117-77-5)

Guidance literature:

With Benzoylformic acid; In water; Sealed tube; Irradiation; Green chemistry;

DOI:10.1002/chem.201705634

upstream raw materials:

butyraldehyde

Diethyl maleate

diethyl Fumarate

ethyl bromoacetate

Downstream raw materials:

4-oxo-heptanoic acid

ethyl 4-oxoheptanoate