1,2,6,7-Diepoxyheptane

Base Information

• Chemical Name: 1,2,6,7-Diepoxyheptane
• CAS No.: 4247-19-2
• Molecular Formula: C7H12O2
• Molecular Weight: 128.19
• Hs Code.: 2910900090
• UNII: 8EYR8YME5M
• DSSTox Substance ID: DTXSID50962508
• Nikkaji Number: J36.955A
• Wikidata: Q27270270
• Mol file: 4247-19-2.mol

Synonyms:1,2,6,7-DIEPOXYHEPTANE;4247-19-2;1,2:6,7-Diepoxyheptane;2-[3-(oxiran-2-yl)propyl]oxirane;1,3-DI(OXIRAN-2-YL)PROPANE;HEPTANE, 1,2:6,7-DIEPOXY-;BRN 0104311;Oxirane, 2,2'-(1,3-propanediyl)bis-;UNII-8EYR8YME5M;8EYR8YME5M;4-19-00-00125 (Beilstein Handbook Reference);SCHEMBL441939;DTXSID50962508;AKOS006277668;2,2'-(TRIMETHYLENE)BISOXIRANE;2,2'-(Propane-1,3-diyl)bis(oxirane);J36.955A;LS-74312;2,2'-(1,3-PROPANEDIYL)BIS(OXIRANE);A825912;Q27270270

Chemical Property of 1,2,6,7-Diepoxyheptane

Chemical Property:

• Refractive Index: 1.4500 (estimate)
• Boiling Point: 177.6°C (rough estimate)
• Flash Point: 67.4oC
• PSA: 25.06000
• Density: 0.9805 (rough estimate)
• LogP: 0.95430
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 91.1

Purity/Quality:

99% ^*data from raw suppliers

1,2,6,7-DIEPOXYHEPTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)CCCC2CO2

Technology Process of 1,2,6,7-Diepoxyheptane

There total 1 articles about 1,2,6,7-Diepoxyheptane 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: 95.8%

1,6-heptadiene (3070-53-9) → 1,3-bis(oxiranyl)propane (4247-19-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; at 8 - 22 ℃; for 15h;

Reference yield:

1,3-bis(oxiranyl)propane (4247-19-2) → C14H20O5S

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; tert-butyl methyl ether; C₂₀H₂₁CoN₂O₃ / dichloromethane; water / 0 - 20 °C

2: triethylamine; di(n-butyl)tin oxide / dichloromethane / 16 h / 0 - 20 °C

With tert-butyl methyl ether; C₂₀H₂₁CoN₂O₃; di(n-butyl)tin oxide; acetic acid; triethylamine; In dichloromethane; water;

DOI:10.1016/j.tetlet.2014.04.109

Reference yield:

1,3-bis(oxiranyl)propane (4247-19-2) → C14H20O5S

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; tert-butyl methyl ether; C₂₀H₂₁CoN₂O₃ / dichloromethane; water / 0 - 20 °C

2: triethylamine; di(n-butyl)tin oxide / dichloromethane / 16 h / 0 - 20 °C

3: trifluorormethanesulfonic acid / acetonitrile / 14 h / 0 - 20 °C

With tert-butyl methyl ether; trifluorormethanesulfonic acid; C₂₀H₂₁CoN₂O₃; di(n-butyl)tin oxide; acetic acid; triethylamine; In dichloromethane; water; acetonitrile;

DOI:10.1016/j.tetlet.2014.04.109

upstream raw materials:

1,6-heptadiene

Refernces

• 1、 -. "One-pot method for preparing diepoxide (by machine translation)". Paragraph 0101-0108. . Retrieved 2020/05/01.
• 2、 -. "Anti-arrhythmia agents". . . Retrieved 2008/06/13.