1,4-Cycloundecanedione

Base Information

• Chemical Name: 1,4-Cycloundecanedione
• CAS No.: 27567-76-6
• Molecular Formula: C₁₁H₁₈O₂
• Molecular Weight: 182.263
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID00499379
• Nikkaji Number: J88.502I
• Wikidata: Q82350110
• Mol file: 27567-76-6.mol

Synonyms:27567-76-6;1,4-Cycloundecanedione;cycloundecane-1,4-dione;DTXSID00499379

Chemical Property of 1,4-Cycloundecanedione

Chemical Property:

• Boiling Point: 313.2±35.0 °C(Predicted)
• PSA: 34.14000
• Density: 0.968±0.06 g/cm3(Predicted)
• LogP: 2.64910
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(=O)CCC(=O)CCC1

Technology Process of 1,4-Cycloundecanedione

There total 3 articles about 1,4-Cycloundecanedione 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:

(Z)-Cycloundec-2-ene-1,4-dione → 1,4-Cycloundecandion (27567-76-6)

Guidance literature:

With sodium dithionite; In ethanol;

DOI:10.1039/c39780001069

Reference yield:

1,11-bis-diazo-undecane-2,10-dione (69703-80-6) → 1,4-Cycloundecandion (27567-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Cu(acac)2

2: aq. Na₂S₂O₄ / ethanol

With copper acetylacetonate; sodium dithionite; In ethanol;

DOI:10.1039/c39780001069

Reference yield:

12-Oxa-bicyclo[7.2.1]dodecane → 1,4-Cycloundecandion (27567-76-6)

Guidance literature:

Multistep reaction; (i) O₂, (PhCO)2O₂, (ii) Na₂Cr₂O₇, aq. H₂SO₄, Et₂O;

DOI:10.1246/bcsj.43.231

upstream raw materials:

1,11-bis-diazo-undecane-2,10-dione