Diethyl-2-carbethoxypimelate

Base Information

• Chemical Name: Diethyl-2-carbethoxypimelate
• CAS No.: 53007-36-6
• Molecular Formula: C₁₄H₂₄O₆
• Molecular Weight: 288.341
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID50398823
• Wikidata: Q82201022
• Mol file: 53007-36-6.mol

Synonyms:Diethyl-2-carbethoxypimelate;53007-36-6;triethyl pentane-1,1,5-tricarboxylate;1,1,5-Pentanetricarboxylic acid, triethyl ester;DTXSID50398823;AKOS030254283;FT-0666750

Chemical Property of Diethyl-2-carbethoxypimelate

Chemical Property:

• Boiling Point: 175-182°C
• PSA: 78.90000
• LogP: 1.85230
• Solubility.: Dichloromethane, Ether, Ethyl Acetate, Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 288.15728848
• Heavy Atom Count: 20
• Complexity: 295

Purity/Quality:

98%Min ^*data from raw suppliers

Diethyl-2-carbethoxypimelate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCC(C(=O)OCC)C(=O)OCC
• Uses: Diethyl-2-carbethoxypimelate (cas# 53007-36-6) is a compound useful in organic synthesis.

Technology Process of Diethyl-2-carbethoxypimelate

There total 4 articles about Diethyl-2-carbethoxypimelate 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:

ethyl 5-chloropentanoate (2323-81-1) + sodium diethylmalonate (996-82-7) → 1,1,5-pentanetricarboxylic acid triethyl ester (53007-36-6)

Guidance literature:

With ethanol;

DOI:10.1021/ja01234a504

Reference yield:

ethyl 5-bromovalerate (14660-52-7) + sodium diethylmalonate (996-82-7) → 1,1,5-pentanetricarboxylic acid triethyl ester (53007-36-6)

Guidance literature:

With ethanol; benzene;

DOI:10.1002/hlca.19440270127

Reference yield:

ethyl 5-bromovalerate (14660-52-7) + diethyl malonate (105-53-3) → 1,1,5-pentanetricarboxylic acid triethyl ester (53007-36-6)

Guidance literature:

DOI:10.1002/ardp.19913240411

upstream raw materials:

ethyl 5-chloropentanoate

sodium diethylmalonate

ethyl 5-bromovalerate

diethyl malonate

Downstream raw materials:

tetraethyl 2-(4-carboxybutyl)-2-(4-carboxybenzyl)-1,3-propanedioate

5-(2-amino-6-hydroxy-4-oxo-3,4-dihydro-5-pyrimidinyl)pentanoic acid

5-(2-Allylamino-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-5-yl)-pentanoic acid

5-(2-Benzylamino-4-hydroxy-6-oxo-1,6-dihydro-pyrimidin-5-yl)-pentanoic acid

Refernces