Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

Base Information

• Chemical Name: Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
• CAS No.: 1659-75-2
• Molecular Formula: C14H22O4
• Molecular Weight: 254.326
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID50511676
• Nikkaji Number: J802.717J
• Wikidata: Q82370585
• Mol file: 1659-75-2.mol

Synonyms:Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;1659-75-2;Diethylbicyclo[2.2.2]octane-1,4-dicarboxylate;1,4-DIETHYL BICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE;SCHEMBL17893420;DTXSID50511676;BAA65975;CS-0375679;EN300-52352

Chemical Property of Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

Chemical Property:

• Melting Point: 30 °C
• Boiling Point: 145-146 °C(Press: 4 Torr)
• PSA: 52.60000
• Density: 1.152±0.06 g/cm3(Predicted)
• LogP: 2.45320
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 254.15180918
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C12CCC(CC1)(CC2)C(=O)OCC

Technology Process of Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate

There total 14 articles about Diethyl bicyclo[2.2.2]octane-1,4-dicarboxylate 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: 99.0%

2,5-Bis-ethylendimercapto-bicyclo<2,2,2>octan-1,4-dicarbonsaeure-diethylester (1686-98-2) → Bicyclo<2.2.2.>octan-1,4-dicarbonsauere-ethylester (1659-75-2)

Guidance literature:

With nickel;

DOI:10.1021/jo00178a018

Reference yield: 98.0%

diethyl 2,5-bisdithianebicyclo[2.2.2]octane-1,4-dicarboxylate (41034-55-3) → Bicyclo<2.2.2.>octan-1,4-dicarbonsauere-ethylester (1659-75-2)

Guidance literature:

nickel; In ethanol; for 72h; Heating;

DOI:10.1021/ja8004623

Reference yield: 79.0%

diethyl 2,5-bisdithianebicyclo[2.2.2]octane-1,4-dicarboxylate (41034-55-3) → Bicyclo<2.2.2.>octan-1,4-dicarbonsauere-ethylester (1659-75-2)

Guidance literature:

In ethanol; for 48h; Heating;

DOI:10.1002/mrc.1260260513

upstream raw materials:

(+/-)-dispiro[[1,3]dithiane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiane]-1',4'-dicarboxylic acid diethyl ester

1,4-bicyclo[2.2.2]octanedicarboxylic acid

2,5-Bis-ethylendimercapto-bicyclo<2,2,2>octan-1,4-dicarbonsaeure-diethylester

diethyl 2,5-bisdithianebicyclo[2.2.2]octane-1,4-dicarboxylate

Downstream raw materials:

Bicyclo<2.2.2>octane-1,4-dimethanol

1,4-bicyclo[2.2.2]octanedicarboxylic acid

C₂₇H₃₆O₅

C₂₂H₃₀O₄