Diethyl dipropylmalonate

Base Information

• Chemical Name: Diethyl dipropylmalonate
• CAS No.: 6065-63-0
• Molecular Formula: C13H24 O4
• Molecular Weight: 244.331
• Hs Code.: 2917.19
• European Community (EC) Number: 227-998-2
• NSC Number: 163902
• DSSTox Substance ID: DTXSID7057783
• Nikkaji Number: J227.279B
• Wikidata: Q72461872
• ChEMBL ID: CHEMBL3184366
• Mol file: 6065-63-0.mol

Synonyms:Diethyl dipropylmalonate;6065-63-0;Diethyl 2,2-dipropylmalonate;diethyl 2,2-dipropylpropanedioate;Diethyl di-n-propylmalonate;DIETHYLDIPROPYL MALONATE;Propanedioic acid, dipropyl-, diethyl ester;DTXSID7057783;EINECS 227-998-2;Malonic acid, dipropyl-, diethyl ester;EC 227-998-2;Diethyl-dipropylmalonate;Di-n-propylmalonic acid diethyl ester;SCHEMBL2353115;CHEMBL3184366;Diethyl 2,2-dipropylmalonate #;DTXCID8031572;Dipropylmalonic Acid Diethyl Ester;Dipropyl-malonic acid diethyl ester;Tox21_113799;MFCD00026840;NSC163902;AKOS009159345;2,2-Dipropylmalonic acid diethyl ester;CS-W012737;NSC 163902;NSC-163902;NCGC00253675-01;CAS-6065-63-0;D2762;FT-0624882;H11283;A832830;SR-01000944906;SR-01000944906-1

Chemical Property of Diethyl dipropylmalonate

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 0.0106mmHg at 25°C
• Refractive Index: 1.4270-1.4290
• Boiling Point: 262.9 °C at 760 mmHg
• Flash Point: STABILITY
• PSA: 52.60000
• Density: 0.976 g/cm³
• LogP: 2.69920
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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: 222

Purity/Quality:

99% ^*data from raw suppliers

Dipropyl-malonicAcidDiethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: UN NO.
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(CCC)(C(=O)OCC)C(=O)OCC
• Uses: Diethyl dipropylmalonate is used in the preparation of Valporic Acid (V094750).

Technology Process of Diethyl dipropylmalonate

There total 12 articles about Diethyl dipropylmalonate 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: 100.0%

diallylmalonic acid diethyl ester (3195-24-2) → 2,2-dipropyl-malonic acid diethyl ester (6065-63-0)

Guidance literature:

With 6C₅₃H₃₂O₈^(4-)*13Zr⁽⁴⁺⁾*18O^(2-)*8Co⁽²⁺⁾*8H^(1-); hydrogen; In tetrahydrofuran; at 23 ℃; for 36h; under 30003 Torr; Reagent/catalyst; Catalytic behavior; Mechanism;

DOI:10.1021/jacs.6b06759

Reference yield: 88.0%

diethyl 2-(3-iodopropyl)-2-propylmalonate (1439866-82-6) → 2,2-dipropyl-malonic acid diethyl ester (6065-63-0)

Guidance literature:

With [Ir(2-phenylpyridine)-2-(4,4’-di-tert-butyl-2,2’-bipyridine)]PF6; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 25 ℃; for 5h; Irradiation;

DOI:10.1002/anie.201203599

Reference yield: 83.0%

propyl bromide (106-94-5) + diethyl propylmalonate (2163-48-6) → 2,2-dipropyl-malonic acid diethyl ester (6065-63-0)

Guidance literature:

With sodium ethanolate; In ethanol; for 10h; Heating;

DOI:10.1002/jps.2600771105

upstream raw materials:

1-iodo-propane

diethyl malonate

propyl bromide

diethyl propylmalonate

Downstream raw materials:

valproic acid

acetone

2,2-di-n-propyl-1,3-propanediol

ethene

Refernces

• 1、 Pews-Davtyan, Anahit,Scharnagl, Florian Korbinian,Hertrich, Maximilian Franz,Kreyenschulte, Carsten,Bartling, Stephan,Lund, Henrik,Jackstell, Ralf,Beller, Matthias. "Biomolecule-derived supported cobalt nanoparticles for hydrogenation of industrial olefins, natural oils and more in water". supporting information. p. 5104 - 5112. Retrieved 2019/09/30.
• 2、 Ji, Pengfei,Manna, Kuntal,Lin, Zekai,Urban, Ania,Greene, Francis X.,Lan, Guangxu,Lin, Wenbin. "Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles". supporting information. p. 12234 - 12242. Retrieved 2016/09/28.