Diethyl 1,4-cyclohexanedicarboxylate

Base Information

• Chemical Name: Diethyl 1,4-cyclohexanedicarboxylate
• CAS No.: 72903-27-6
• Molecular Formula: C12H20 O4
• Molecular Weight: 228.288
• Hs Code.: 2917209090
• European Community (EC) Number: 417-310-0,634-654-9
• NSC Number: 78975
• DSSTox Substance ID: DTXSID0052469,DTXSID001248653
• Nikkaji Number: J437.489D,J437.490H,J3.250.570H
• Mol file: 72903-27-6.mol

Synonyms:19145-96-1;diethyl cyclohexane-1,4-dicarboxylate;72903-27-6;(1R,4R)-DIETHYL CYCLOHEXANE-1,4-DICARBOXYLATE;Diethyl 1,4-cyclohexanedicarboxylate;Diethyl trans-1,4-Cyclohexanedicarboxylate;trans-1,4-Cyclohexanedicarboxylic Acid Diethyl Ester;1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester;1,4-diethyl cyclohexane-1,4-dicarboxylate;EC 417-310-0;1,4-Cyclohexanedicarboxylic acid, diethyl ester;trans-1,4-Cyclohexanedicarboxylic acid 1,4-diethyl ester;NSC78975;Diethylcyclohexane-1,4-dicarboxylate;Diethyltrans-1,4-cyclohexanedicarboxylate;NCIOpen2_004296;SCHEMBL237380;SCHEMBL2375356;SCHEMBL8891623;DTXSID0052469;1,4-Cyclohexanedicarboxylic acid, 1,4-diethyl ester, trans-;DTXSID001248653;MFCD10566896;MFCD12973977;NSC 78975;NSC-78975;diethyl 1,4-cyclohexane dicarboxylate;Diethyl=cyclohexane-1,4-dicarboxylate;AKOS015833095;AKOS015900100;SB47915;AS-70783;trans-Diethyl cyclohexane-1,4-dicarboxylate;AM20070463;CS-0320755;D3639;FT-0749439;1,4-Diethyl trans-1,4-cyclohexanedicarboxylate;D90211;Diethyl (1r,4r)-cyclohexane-1,4-dicarboxylate;F71560;1,4-diethyl (1r,4r)-cyclohexane-1,4-dicarboxylate;1alpha,4alpha-Cyclohexanedicarboxylic acid diethyl ester;1alpha,4beta-Cyclohexanedicarboxylic acid diethyl ester

Chemical Property of Diethyl 1,4-cyclohexanedicarboxylate

Chemical Property:

• Vapor Pressure: 0.2Pa at 25℃
• Boiling Point: 108-110 °C(Press: 1.2 Torr)
• PSA: 52.60000
• Density: 1.0521 g/cm3
• LogP: 1.91900
• Water Solubility.: 1.28g/L at 20℃
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

99.9% ^*data from raw suppliers

Diethylcyclohexane-1,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCC(CC1)C(=O)OCC

Technology Process of Diethyl 1,4-cyclohexanedicarboxylate

There total 9 articles about Diethyl 1,4-cyclohexanedicarboxylate 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 1,4-cyclohexanedione-2,5-dicarboxylate (787-07-5) → 4-methylcyclohexanecarboxylic acid ethyl ester (7133-31-5) + cyclohexane-1,4-dicarboxylic acid diethyl ester (72903-27-6) + 1,4 dimethylcyclohexane (589-90-2)

Guidance literature:

With copper nanoparticles on activated carbon; hydrogen; In isopropyl alcohol; at 150 ℃; for 6h; under 37503.8 Torr; Autoclave;

Reference yield:

ethanol (64-17-5) + 2-cyclohexene-1,4-dicarboxylic acid (19618-93-0) → cyclohexane-1,4-dicarboxylic acid diethyl ester (72903-27-6) + diethyl terephthalate (636-09-9)

Guidance literature:

at 120 ℃; for 4h; Temperature; Reagent/catalyst; Inert atmosphere;

Reference yield:

ethanol (64-17-5) + ethene (74-85-1) + trans,trans-muconic acid (3588-17-8) → diethyl adipate (141-28-6) + cyclohexane-1,4-dicarboxylic acid diethyl ester (72903-27-6) + diethyl terephthalate (636-09-9)

Guidance literature:

ethanol; ethene; trans,trans-muconic acid; With dodecatungstosilic acid; at 200 ℃; for 6h; under 22502.3 Torr; Autoclave;

With 10 mol% palladium on carbon; at 200 ℃; for 6h; under 750.075 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/anie.201509149

upstream raw materials:

ethanol

ethene

trans,trans-muconic acid

diethyl 1,4-cyclohexanedione-2,5-dicarboxylate

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