Diethyl 3-oxoundecanedioate

Base Information

• Chemical Name: Diethyl 3-oxoundecanedioate
• CAS No.: 105600-21-3
• Molecular Formula: C13H22O5
• Molecular Weight: 258.31100
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50554164
• Wikidata: Q82435039
• Mol file: 105600-21-3.mol

Synonyms:105600-21-3;Diethyl 3-oxoundecanedioate;DTXSID50554164;1,11-DIETHYL 3-OXOUNDECANEDIOATE;DIETHYL2-OXONONANE-1,9-DICARBOXYLATE

Chemical Property of Diethyl 3-oxoundecanedioate

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Boiling Point: 335.3oC at 760 mmHg
• Flash Point: 143.6oC
• PSA: 69.67000
• Density: 1.044g/cm3
• LogP: 2.02230
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 286.17802393
• Heavy Atom Count: 20
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

Diethyl2-oxononane-1,9-dicarboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 3-oxoundecanedioate

There total 2 articles about Diethyl 3-oxoundecanedioate 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-Nitrooxy-nonanedioic acid diethyl ester → diethyl α-oxononanedioate (105600-21-3)

Guidance literature:

With triethylamine; In diethyl ether; Yield given;

Reference yield:

diethyl 2-bromononanedioate (760-95-2) → diethyl α-oxononanedioate (105600-21-3)

Guidance literature:

Multi-step reaction with 2 steps

1: n-Bu₄N(+)NO₃(-) / toluene / 7 h / Heating

2: Et₃N / diethyl ether

With tetrabutylammonium nitrate; triethylamine; In diethyl ether; toluene;

upstream raw materials:

diethyl 2-bromononanedioate

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