Diethyl cyclohexane-1,2-dicarboxylate

Base Information

• Chemical Name: Diethyl cyclohexane-1,2-dicarboxylate
• CAS No.: 10138-59-7
• Molecular Formula: C12H20 O4
• Molecular Weight: 228.288
• Hs Code.: 2917209090
• European Community (EC) Number: 808-536-4
• NSC Number: 408342
• DSSTox Substance ID: DTXSID90906103
• Nikkaji Number: J48.544F
• Mol file: 10138-59-7.mol

Synonyms:Diethyl cyclohexane-1,2-dicarboxylate;10138-59-7;Diethyl hexahydrophthalate;1,2-Cyclohexanedicarboxylic Acid Diethyl Ester;Hexahydrophthalic acid diethyl ester;Diethylester kyseliny hexahydrftalove;CYCLOHEXANE-1,2-DICARBOXYLIC ACID, DIETHYL ESTER;1,2-Cyclohexanedicarboxylic acid, diethyl ester;NSC 408342;AI3-05567;Diethylester kyseliny hexahydrftalove [Czech];cyclohexane-1,2-dicarboxylic acid diethyl ester;1,2-diethyl cyclohexane-1,2-dicarboxylate;Cyclohexane-1, diethyl ester;SCHEMBL234644;1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester;WLN: L6TJ AVO2 BVO2;DTXSID90906103;Diethyl 1,2-cyclohexanedicarboxylate;Diethylcyclohexane-1,2-dicarboxylate;MFCD00029449;NSC408342;AKOS015907330;Diethyl 1,2-cyclohexanedicarboxylate #;NSC-408342;BS-19092;LS-56778;CS-0442396;D3713;FT-0606324;F12146;(1RS,2RS)-diethyl cyclohexane-1,2-dicarboxylate;1,2-CYCLOHEXANE DICARBOXYLIC ACID DIETHYLESTER

Chemical Property of Diethyl cyclohexane-1,2-dicarboxylate

Chemical Property:

• Vapor Pressure: 0.00164mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 135 °C / 11mmHg
• Flash Point: 137.8°C
• PSA: 52.60000
• Density: 1,05 g/cm3
• LogP: 1.91900
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

98% ^*data from raw suppliers

1,2-CyclohexanedicarboxylicAcidDiethylEster ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCCC1C(=O)OCC

Technology Process of Diethyl cyclohexane-1,2-dicarboxylate

There total 8 articles about Diethyl cyclohexane-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: 95.0%

diethyl 1,2,3,6-tetrahydrophthalate (13043-60-2) → diethyl 1,2-cyclohexanedicarboxylate (10138-59-7,17351-22-3)

Guidance literature:

With cobalt; In tetrahydrofuran; Heating; High pressure;

DOI:10.1039/c8cy00595h

Reference yield: 38.0%

diethyl suberate (2050-23-9) → diethyl 1,2-cyclohexanedicarboxylate (10138-59-7,17351-22-3)

Guidance literature:

With copper(II) bis(trifluoromethanesulfonate); lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 30h;

Reference yield: 31.0%

Diethyl phthalate (84-66-2) → diethyl 1,2-cyclohexanedicarboxylate (10138-59-7,17351-22-3)

Guidance literature:

With Ti₈O₈⁽¹⁴⁺⁾*6C₈H₄O₄^(2-)*4O^(2-)*3.3Li⁽¹⁺⁾*0.7Co⁽²⁺⁾*0.7C₄H₈O*0.7H^(1-); hydrogen; In neat (no solvent); at 160 ℃; for 18h; under 37503.8 Torr;

DOI:10.1021/jacs.7b11241

upstream raw materials:

ethanol

trans-1,2-cyclohexanedicarboxylic acid

(1R,2S)-cyclohexane-1,2-dicarboxylic acid

diethyl suberate

Downstream raw materials:

1,2-bis-(α-hydroxy-isopropyl)-cyclohexane

1,2-bis(hydroxymethyl)cyclohexane

1,1,3,3-tetramethyl-octahydro-isobenzofuran

Diethyl phthalate

Refernces

• 1、 -. "Methods for preparing 1,2-cyclohexanedicarboxylate or phthalic acid ester". Paragraph 0060-0063. . Retrieved 2019/05/02.
• 2、 Büschelberger, Philipp,Reyes-Rodriguez, Efrain,Sch?ttle, Christian,Treptow, Jens,Feldmann, Claus,Jacobi Von Wangelin, Axel,Wolf, Robert. "Recyclable cobalt(0) nanoparticle catalysts for hydrogenations". . p. 2648 - 2653. Retrieved 2018/05/30.