Diethyl butylethylmalonate

Base Information

• Chemical Name: Diethyl butylethylmalonate
• CAS No.: 596-76-9
• Molecular Formula: C13H24 O4
• Molecular Weight: 244.331
• European Community (EC) Number: 209-891-2
• NSC Number: 44910,6791
• UNII: E6VN3E53NE
• DSSTox Substance ID: DTXSID00208281
• Nikkaji Number: J134.800K
• Wikidata: Q83082382
• Mol file: 596-76-9.mol

Synonyms:Diethyl butylethylmalonate;596-76-9;BUTYL TRIETHYL MALONATE;diethyl 2-butyl-2-ethylpropanedioate;NSC-6791;EINECS 209-891-2;NSC-44910;AI3-01369;Propanedioic acid, butylethyl-, diethyl ester;E6VN3E53NE;SCHEMBL7507899;DTXSID00208281;NSC6791;Butylethylmalonic acid diethyl ester;NSC 6791;NSC44910;NSC 44910;DIETHYL 2-BUTYL-2-ETHYLMALONATE;1,3-diethyl 2-butyl-2-ethylpropanedioate;Propanedioic acid, 2-butyl-2-ethyl-, 1,3-diethyl ester

Chemical Property of Diethyl butylethylmalonate

Chemical Property:

• Vapor Pressure: 0.0106mmHg at 25°C
• Boiling Point: 262.9°Cat760mmHg
• Flash Point: 113.7°C
• PSA: 52.60000
• Density: 0.976g/cm³
• LogP: 2.69920
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 244.16745924
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

ButylTriethylMalonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)(C(=O)OCC)C(=O)OCC
• Uses: Butyl Triethyl Malonate is a reagent that is used in the synthesis of butobarbital (B690105), which is a barbiturate derivative that is used as a hypnotic agent with sedative and anticonvulsant properties.

Technology Process of Diethyl butylethylmalonate

There total 6 articles about Diethyl butylethylmalonate 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:

Ethyl hexanoate (123-66-0) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl-butyl-malonic acid diethyl ester (596-76-9) + diethyl butylmalonate (133-08-4)

Guidance literature:

With sodium ethanolate;

Reference yield:

Diethyl carbonate (105-58-8,76619-83-5) → ethyl-butyl-malonic acid diethyl ester (596-76-9) + diethyl butylmalonate (133-08-4)

Guidance literature:

With sodium ethanolate; beim Abdestillieren des entstehenden Aethanols;

Reference yield:

ethyl bromide (74-96-4) + diethyl butylmalonate (133-08-4) → ethyl-butyl-malonic acid diethyl ester (596-76-9)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

1-bromo-butane

ethyl diethyl malonate

ethyl bromide

diethyl butylmalonate

Downstream raw materials:

5-ethyl-5-butyl-1-phenyl-barbituric acid

2-butyl-2-ethylpropane-1,3-diol

ethyl-butyl-malonic acid

5-ethyl-2-anilino-5-butyl-1H-pyrimidine-4,6-dione