Diethyl pimelate

Base Information

• Chemical Name: Diethyl pimelate
• CAS No.: 2050-20-6
• Molecular Formula: C11H20O4
• Molecular Weight: 216.277
• Hs Code.: 29171990
• European Community (EC) Number: 218-083-9
• NSC Number: 17503
• UNII: 2RF63N709K
• DSSTox Substance ID: DTXSID30174485
• Nikkaji Number: J127.730H
• Wikidata: Q27255509
• Mol file: 2050-20-6.mol

Synonyms:DIETHYL PIMELATE;Diethyl heptanedioate;2050-20-6;Heptanedioic acid, diethyl ester;Heptanedioic acid, 1,7-diethyl ester;Pimelic acid diethyl ester;Heptanedioic Acid Diethyl Ester;UNII-2RF63N709K;2RF63N709K;EINECS 218-083-9;NSC-17503;1,5-Pentanedicarboxylic acid diethyl ester;AI3-11033;Pentane-1,5-dicarboxylic acid diethyl ester;Diethyl pimelate, 97%;1,7-diethyl heptanedioate;SCHEMBL1483107;DTXSID30174485;NSC17503;MFCD00009216;NSC 17503;AKOS015902265;PIMELIC ACID DIETHYL ESTER [MI];AS-62920;FT-0624803;P1100;D92071;A879598;Q27255509;Diethyl pimelate,(Pimelic acid diethyl ester);Heptanedioic acid diethyl ester~Pimelic acid diethyl ester

Chemical Property of Diethyl pimelate

Chemical Property:

• Appearance/Colour: Clear liquid.
• Vapor Pressure: 0.0081mmHg at 25°C
• Melting Point: -24°C
• Refractive Index: n20/D 1.430(lit.)
• Boiling Point: 267.6 °C at 760 mmHg
• Flash Point: 117.4 °C
• PSA: 52.60000
• Density: 0.996 g/cm³
• LogP: 2.06310
• Storage Temp.: 2-8°C
• Solubility.: 1.97g/l slightly soluble
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 216.13615911
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diethyl Pimelate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)CCCCCC(=O)OCC

Technology Process of Diethyl pimelate

There total 18 articles about Diethyl pimelate 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: 99.0%

heptanedioic acid (111-16-0) + ethanol (64-17-5) → diethyl pimelate (2050-20-6)

Guidance literature:

With thionyl chloride; at 0 - 85 ℃; for 10.5h;

Reference yield: 99.0%

pimeloyl chloride (142-79-0) + ethanol (64-17-5) → diethyl pimelate (2050-20-6)

Guidance literature:

With sodium carbonate; at 0 - 20 ℃; for 2.5h;

Reference yield: 83.0%

ethanol (64-17-5) + 2-nitrocycloheptanone (13154-27-3) → diethyl pimelate (2050-20-6)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; at 80 ℃; for 3h;

DOI:10.1016/S0040-4020(97)10052-7

upstream raw materials:

heptanedioic acid

ethanol

diethyl 1-acetylpentane-1,5-dicarboxylate

pentane-1,1,5,5-tetracarboxylic acid tetraethyl ester

Downstream raw materials:

7-ethoxy-7-oxoheptanoic acid

optically inactive N,N'-bis-(trans-2-hydroxy-cyclohexyl)-heptanediamide

ethyl 2-oxocyclohexane carboxylate

1,7-heptandiol

Refernces

• 1、 Britton, Joshua,Dalziel, Stuart B.,Raston, Colin L.. "The synthesis of di-carboxylate esters using continuous flow vortex fluidics". . p. 2193 - 2200. Retrieved 2016/04/19.
• 2、 Li, Hua,Zhao, Zhengui,Zhang, Ningning,Tang, Qianqian. "Catalytic synthesis of diethyl pimelate with functionalized ionic liquids". experimental part. p. 2172 - 2174. Retrieved 2012/03/09.