Diethyl cyclohex-1-ene-1,2-dicarboxylate

Base Information

• Chemical Name: Diethyl cyclohex-1-ene-1,2-dicarboxylate
• CAS No.: 92687-41-7
• Molecular Formula: C12H18O4
• Molecular Weight: 226.273
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID30601645
• Nikkaji Number: J160.544E
• Wikidata: Q82498422
• Mol file: 92687-41-7.mol

Synonyms:92687-41-7;Diethyl cyclohex-1-ene-1,2-dicarboxylate;SCHEMBL234027;DTXSID30601645

Chemical Property of Diethyl cyclohex-1-ene-1,2-dicarboxylate

Chemical Property:

• Refractive Index: 1.4747 (estimate)
• Boiling Point: 327.88°C (rough estimate)
• PSA: 52.60000
• Density: 1.0803
• LogP: 1.98320
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 226.12050905
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(CCCC1)C(=O)OCC

Technology Process of Diethyl cyclohex-1-ene-1,2-dicarboxylate

There total 2 articles about Diethyl cyclohex-1-ene-1,2-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:

diethyl cyclohexane-cis-1,2-dicarboxylate (17351-07-4,17351-22-3) → cyclohex-1-ene-1,2-dicarboxylic acid diethyl ester (92687-41-7)

Guidance literature:

With tetrachloromethane; sulfuryl dichloride; dibenzoyl peroxide;

DOI:10.1021/ja01868a001

Reference yield:

ethyl iodide (75-03-6) → cyclohex-1-ene-1,2-dicarboxylic acid diethyl ester (92687-41-7)

Guidance literature:

With diethyl ether;

DOI:10.1007/s10140-002-0203-1

Reference yield:

cyclohex-1-ene-1,2-dicarboxylic acid diethyl ester (92687-41-7) + sodium dodecyl-sulfate (151-21-3) → cyclohex-1-ene-1,2-dicarboxylic acid (635-08-5) + cyclohex-2-ene-1,2-dicarboxylic acid (38765-78-5)

Guidance literature:

DOI:10.1021/ja01868a001

upstream raw materials:

diethyl cyclohexane-cis-1,2-dicarboxylate

ethyl iodide

Downstream raw materials:

cyclohex-1-ene-1,2-dicarboxylic acid

cyclohex-2-ene-1,2-dicarboxylic acid