Diethyl allylisobutylmalonate

Base Information

• Chemical Name: Diethyl allylisobutylmalonate
• CAS No.: 59726-40-8
• Molecular Formula: C14H24O4
• Molecular Weight: 256.342
• European Community (EC) Number: 261-886-4
• UNII: M2VK57RD4N
• DSSTox Substance ID: DTXSID40208447
• Nikkaji Number: J298.217J
• Wikidata: Q83082572
• Mol file: 59726-40-8.mol

Synonyms:Diethyl allylisobutylmalonate;59726-40-8;diethyl 2-(2-methylpropyl)-2-prop-2-enylpropanedioate;M2VK57RD4N;EINECS 261-886-4;2-Allyl-2-isobutylmalonic acid diethyl ester;UNII-M2VK57RD4N;DTXSID40208447;Diethyl 2-allyl-2-iso-butyl malonate;MALONIC ACID, ALLYLISOBUTYL-, DIETHYL ESTER;W-105305;(2-Methylpropyl)-2-propenylpropanedioic acid diethyl ester;1,3-DIETHYL 2-(2-METHYLPROPYL)-2-(2-PROPEN-1-YL)PROPANEDIOATE;PROPANEDIOIC ACID, 2-(2-METHYLPROPYL)-2-(2-PROPEN-1-YL)-, 1,3-DIETHYL ESTER

Chemical Property of Diethyl allylisobutylmalonate

Chemical Property:

• Vapor Pressure: 0.00472mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 276.7 °C at 760 mmHg
• Flash Point: 120.6 °C
• PSA: 52.60000
• Density: 0.977 g/cm³
• LogP: 2.72120
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 256.16745924
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

98%min ^*data from raw suppliers

DIETHYL ALLYLISOBUTYLMALONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl allylisobutylmalonate

There total 5 articles about Diethyl allylisobutylmalonate 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-propenyl)propanedioic acid diethyl ester (2049-80-1) + diethyl propylmalonate (2163-48-6) → diethyl 2-isobutyl-2-(prop-2-enyl)malonate (59726-40-8)

Guidance literature:

With sodium ethanolate; In ethanol; at 78 ℃;

DOI:10.1021/tx950216s

Reference yield:

diethyl malonate (105-53-3) → diethyl 2-isobutyl-2-(prop-2-enyl)malonate (59726-40-8)

Guidance literature:

Multi-step reaction with 2 steps

2: NaOEt

With sodium ethanolate;

DOI:10.1248/cpb.24.538

Reference yield:

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) + Isobutyl bromide (78-77-3) → diethyl 2-isobutyl-2-(prop-2-enyl)malonate (59726-40-8)

Guidance literature:

With sodium ethanolate;

DOI:10.1248/cpb.24.538

upstream raw materials:

(2-propenyl)propanedioic acid diethyl ester

Isobutyl bromide

Isobutyl iodide

allyl bromide

Downstream raw materials:

Baytinal

butalbital

Refernces

• 1、 Kurata,Tanaka,Takahashi. "Synthesis of δ lactone derivatives. V. 3 Alkyl derivatives". . p. 538 - 540. Retrieved 2007/10/05.