1,4-Dioxecane-5,10-dione

Base Information

• Chemical Name: 1,4-Dioxecane-5,10-dione
• CAS No.: 15498-31-4
• Molecular Formula: C8H12 O4
• Molecular Weight: 172.181
• Hs Code.: 2914190090
• European Community (EC) Number: 239-527-8
• UNII: 3N8M86C7EV
• DSSTox Substance ID: DTXSID40165763
• Nikkaji Number: J307.215K
• Wikidata: Q83034996
• Mol file: 15498-31-4.mol

Synonyms:1,4-Dioxecane-5,10-dione;15498-31-4;ethylene adipate;EINECS 239-527-8;3N8M86C7EV;UNII-3N8M86C7EV;SCHEMBL1162730;DTXSID40165763;MFCD00046967;AKOS006274585;ETHYLENE GLYCOL, CYCLIC ADIPATE;s11858;AS-58077;CS-0334002

Chemical Property of 1,4-Dioxecane-5,10-dione

Chemical Property:

• Vapor Pressure: 6.97E-07mmHg at 25°C
• Boiling Point: 408.5°Cat760mmHg
• Flash Point: 220.7°C
• PSA: 52.60000
• Density: 1.129g/cm³
• LogP: 0.64680
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

1,4-dioxecane-5,10-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)OCCOC(=O)C1

Technology Process of 1,4-Dioxecane-5,10-dione

There total 3 articles about 1,4-Dioxecane-5,10-dione 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: 10.0%

ethylene glycol (107-21-1) + Adipic acid dichloride (111-50-2) → dioxa-1,8 cyclodecane-dione-2,7 (15498-31-4)

Guidance literature:

With triethylamine; In dichloromethane; for 1h;

DOI:10.1021/ja00030a048

Reference yield:

Adipic acid (124-04-9) → dioxa-1,8 cyclodecane-dione-2,7 (15498-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / tosylate de fluoro-2 N-methyl pyridinium, triethylamine / CH₂Cl₂ / 0.5 h / Ambient temperature

2: 42 percent / benzene; CHCl₃ / 1 h / Heating

With 1-methyl-2-fluoropyridinium p-toluenesulfonate; triethylamine; In dichloromethane; chloroform; benzene;

DOI:10.1016/S0040-4020(01)87317-8

Reference yield:

fluorure d'acide adipique (693-34-5) + C38H34O2Sn2 (90073-98-6) → dioxa-1,8 cyclodecane-dione-2,7 (15498-31-4) + tetraoxa-1,8,11,18 cycloeicosane-tetraone-2,7,12,17 (64066-17-7)

Guidance literature:

In chloroform; benzene; for 1h; Heating;

DOI:10.1016/S0040-4020(01)87317-8

upstream raw materials:

fluorure d'acide adipique

C₃₈H₃₄O₂Sn₂

ethylene glycol

Adipic acid dichloride

Refernces

• 1、 Picard, C.,Cazaux, L.,Tisnes, P.. "SYNTHESE DE DILACTONES MACROCYCLIQUES ASSISTEE PAR LES ORGANOSTANNIQUES APPLICATION AUX MACROCYCLES SOUFRES (SULFURES, SULFOXYDES, DISULFURES) COMPLEXATION SELECTIVE DE L'ION Ca(2+)". . p. 3503 - 3520. Retrieved 2007/10/02.