Diethyl sec-butylethylmalonate

Base Information

• Chemical Name: Diethyl sec-butylethylmalonate
• CAS No.: 76-71-1
• Molecular Formula: C13H24 O4
• Molecular Weight: 244.331
• European Community (EC) Number: 200-980-1
• NSC Number: 10822
• DSSTox Substance ID: DTXSID901018954
• Nikkaji Number: J192.559H
• Mol file: 76-71-1.mol

Synonyms:Diethyl sec-butylethylmalonate;76-71-1;123647-93-8;diethyl 2-butan-2-yl-2-ethylpropanedioate;sec-Butylethylmalonic acid, diethyl ester;EINECS 200-980-1;Diethyl4-methyl-3,3-hexanedicarboxylate;Propanedioic acid, ethyl(1-methylpropyl)-, diethyl ester;DIETHYL ETHYL(1-METHYLPROPYL)MALONATE;DTXSID901018954;NSC10822;diethyl 2-sec-butyl-2-ethylmalonate;NSC 10822;NSC-10822;FT-0624857;FT-0643014;A805132;Ethyl(1-methylpropyl)propanedioic acid diethyl ester;Propanedioicacid,ethyl(1-methylpropyl)-,diethylester;W-104346

Chemical Property of Diethyl sec-butylethylmalonate

Chemical Property:

• Vapor Pressure: 0.0188mmHg at 25°C
• Boiling Point: 253 °C at 760 mmHg
• Flash Point: 107.5 °C
• PSA: 52.60000
• Density: 0.975 g/cm³
• LogP: 2.55510
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 244.16745924
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl sec-butylethylmalonate

There total 3 articles about Diethyl sec-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:

s-butyl bromide (78-76-2,5787-31-5) → ethyl-sec-butyl-malonic acid diethyl ester (76-71-1)

Guidance literature:

With ethanol;

Reference yield:

sec-butyl-malonic acid diethyl ester (83-27-2) + sodium ethanolate (141-52-6) → ethyl-sec-butyl-malonic acid diethyl ester (76-71-1)

Guidance literature:

With Diethyl carbonate; beim Abdestillieren des Alkohols unter vermindertem Druck und Erwaermen der Reaktionsloesung mit Aethylbromid auf 100-105grad;

Reference yield:

→ ethyl-sec-butyl-malonic acid diethyl ester (76-71-1)

Guidance literature:

Malonester I, EtBr;

upstream raw materials:

sec-butyl-malonic acid diethyl ester

sodium ethanolate

s-butyl bromide

Downstream raw materials:

ethyl-sec-butyl-malonic acid

butabarbital