Diethyl (1-methylbutyl)allylmalonate

Base Information

• Chemical Name: Diethyl (1-methylbutyl)allylmalonate
• CAS No.: 6285-59-2
• Molecular Formula: C15H26 O4
• Molecular Weight: 270.369
• European Community (EC) Number: 228-514-2
• NSC Number: 10825
• DSSTox Substance ID: DTXSID20944977
• Nikkaji Number: J206.846J
• Mol file: 6285-59-2.mol

Synonyms:Diethyl (1-methylbutyl)allylmalonate;6285-59-2;diethyl 2-pentan-2-yl-2-prop-2-enylpropanedioate;Malonic acid, allyl-1-methylbutyl-, diethyl ester;22328-93-4;SCHEMBL11678264;(1-Methylbutyl)-2-propenylpropanedioic acid diethyl ester;DTXSID20944977;NSC10825;EINECS 228-514-2;NSC 10825;NSC-10825;AKOS024337584;DIETHYL ALLYL-1-(METHYLBUTYL)MALONATE;Diethyl (pentan-2-yl)(prop-2-en-1-yl)propanedioate;Malonic acid, allyl(1-methylbutyl)-, diethyl ester,(+)-(R)-;Propanedioicacid,2-(1-methylbutyl)-2-(2-propen-1-yl)-,1,3-diethylester;Propanedioic acid, 2-(1-methylbutyl)-2-(2-propen-1-yl)-, 1,3-diethyl ester

Chemical Property of Diethyl (1-methylbutyl)allylmalonate

Chemical Property:

• Vapor Pressure: 0.00162mmHg at 25°C
• Boiling Point: 294.4°C at 760 mmHg
• Flash Point: 129.3°C
• PSA: 52.60000
• Density: 0.97g/cm³
• LogP: 3.11130
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 270.18310931
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl (1-methylbutyl)allylmalonate

There total 2 articles about Diethyl (1-methylbutyl)allylmalonate 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:

2-bromopentane (107-81-3) → allyl-(1-methyl-butyl)-malonic acid diethyl ester (6285-59-2)

Guidance literature:

With ethanol;

Reference yield:

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) + 2-bromopentane (107-81-3) → allyl-(1-methyl-butyl)-malonic acid diethyl ester (6285-59-2)

Guidance literature:

With sodium; toluene;

upstream raw materials:

(2-propenyl)propanedioic acid diethyl ester

2-bromopentane