Diethyl ethyl(1-methylbutyl)malonate

Base Information

• Chemical Name: Diethyl ethyl(1-methylbutyl)malonate
• CAS No.: 76-72-2
• Molecular Formula: C14H26O4
• Molecular Weight: 258.358
• European Community (EC) Number: 200-981-7
• NSC Number: 10824
• UNII: 6LWT1P8JUR
• DSSTox Substance ID: DTXSID601018955
• Nikkaji Number: J122.039J
• Wikidata: Q27265123
• Mol file: 76-72-2.mol

Synonyms:Diethyl ethyl(1-methylbutyl)malonate;76-72-2;ETHYL 2-ETHYL-2-(1-METHYLBUTYL)MALONATE;diethyl 2-ethyl-2-pentan-2-ylpropanedioate;6LWT1P8JUR;Diethyl 2-ethyl-2-(pentan-2-yl)malonate;Propanedioic acid, ethyl(1-methylbutyl)-, diethyl ester;NSC-10824;Malonic acid, ethyl(1-methylbutyl)-, diethyl ester;4-methylheptane-5,5-dicarboxylic acid diethyl ester;UNII-6LWT1P8JUR;SCHEMBL8013777;DTXSID601018955;NSC10824;EINECS 200-981-7;MFCD00129160;NSC 10824;AKOS000282874;AKOS022182105;Diethyl2-ethyl-2-(pentan-2-yl)malonate;AS-15163;AI3-11057;DIETHYL ETHYL-(1-METHYLBUTYL)MALONATE;FT-0631327;Diethyl 2-ethyl-2-(1-methylbutyl)malonate #;EC 200-981-7;Ethyl(1-methylbutyl)-malonic acid diethylester;Ethyl(1-methylbutyl)malonic acid diethyl ester;A838807;1,3-diethyl 2-ethyl-2-(pentan-2-yl)propanedioate;Q27265123;MALONIC ACID, ETHYL(.ALPHA.-METHYLBUTYL)-, DIETHYL ESTER;PROPANEDIOIC ACID, 2-ETHYL-2-(1-METHYLBUTYL)-, 1,3-DIETHYL ESTER

Chemical Property of Diethyl ethyl(1-methylbutyl)malonate

Chemical Property:

• Vapor Pressure: 0.00808mmHg at 25°C
• Melting Point: 155-157
• Refractive Index: 1.44
• Boiling Point: 267.6 °C at 760 mmHg
• Flash Point: 114.2 °C
• PSA: 52.60000
• Density: 0.967 g/cm³
• LogP: 2.94520
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 258.18310931
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99.9% ^*data from raw suppliers

DiethylEthyl(1-methylbutyl)malonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C(CC)(C(=O)OCC)C(=O)OCC
• Uses: Diethyl Ethyl(1-methylbutyl)malonate is used as a reagent in electrochemistry with urea to synthesize ureides from esters.

Technology Process of Diethyl ethyl(1-methylbutyl)malonate

There total 13 articles about Diethyl ethyl(1-methylbutyl)malonate 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:

pentan-2-yl methanesulfonate (4551-09-1) + ethyl diethyl malonate (133-13-1) → diethyl ethyl(1-methyl-butyl)malonate (76-72-2)

Guidance literature:

ethyl diethyl malonate; With sodium ethanolate; In ethanol; ethyl acetate; at 125 ℃; for 2h;

pentan-2-yl methanesulfonate; In ethyl acetate; toluene; at 40 - 135 ℃; for 5h;

Reference yield:

2-bromopentane (107-81-3) + ethyl diethyl malonate (133-13-1) → diethyl ethyl(1-methyl-butyl)malonate (76-72-2)

Guidance literature:

With sodium ethanolate; In ethanol; ethyl acetate; at 75 - 125 ℃; for 5h;

Reference yield:

→ diethyl ethyl(1-methyl-butyl)malonate (76-72-2)

Guidance literature:

With ethanol; inactive form;

upstream raw materials:

diethyl (1-methylbutyl)malonate

2-iodopentane

ethyl diethyl malonate

ethyl bromide

Downstream raw materials:

pentobarbital

2-ethyl-3-methylhexanoic acid

Refernces

• 1、 -. "5-ethyl-5 - (1-methyl butyl) method for preparing malonyl urea (by machine translation)". Paragraph 0028; 0029. . Retrieved 2016/12/12.