(1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate

Base Information

• Chemical Name: (1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate
• CAS No.: 17351-07-4
• Molecular Formula: C12H20O4
• Molecular Weight: 228.288
• Hs Code.: 2917209090
• DSSTox Substance ID: DTXSID80484021
• Nikkaji Number: J437.482G
• Wikidata: Q63396591
• Mol file: 17351-07-4.mol

Synonyms:17351-07-4;(1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate;Diethyl cis-1,2-Cyclohexanedicarboxylate;diethyl (1R,2S)-cyclohexane-1,2-dicarboxylate;cis-1,2-Cyclohexanedicarboxylic Acid Diethyl Ester;1,2-Cyclohexanedicarboxylic acid, 1,2-diethyl ester, (1R,2S)-rel-;(1S,2R)-CYCLOHEXANE-1,2-DICARBOXYLIC ACID DIETHYL ESTER;SCHEMBL13011542;DTXSID80484021;MFCD03938293;AKOS015914232;AG-E-23039;AS-71898;CS-0324194;(1R,2S)-Diethylcyclohexane-1,2-dicarboxylate;T70426;cis-cyclohexane-1,2-dicarboxylic acid diethyl ester;Q63396591;1,2-DIETHYL (1R,2S)-CYCLOHEXANE-1,2-DICARBOXYLATE;1,2-Cyclohexanedicarboxylicacid,1,2-diethyl ester,(1R,2S)-rel-

Chemical Property of (1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate

Chemical Property:

• Refractive Index: 1.4510-1.4550
• Boiling Point: 294.2 °C at 760 mmHg
• Flash Point: 137.8 °C
• PSA: 52.60000
• Density: 1.063 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%,99%, ^*data from raw suppliers

Cis-1,2-CyclohexanedicarboxylicAcidDiethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCCC1C(=O)OCC
• Isomeric SMILES: CCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC

Technology Process of (1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate

There total 4 articles about (1R,2S)-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:

cis-4-cyclohexene-1,2-dicarboxylic acid diethyl diester (4841-85-4) → diethyl cyclohexane-cis-1,2-dicarboxylate (17351-07-4,17351-22-3)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1007/BF02256978

Reference yield:

diethyl 1,2,3,6-tetrahydrophthalate (13043-60-2) → diethyl cyclohexane-cis-1,2-dicarboxylate (17351-07-4,17351-22-3) + diethyl cyclohexane-trans-1,2-dicarboxylate (96836-97-4,17351-22-3)

Guidance literature:

With hydrogen; In ethyl acetate; at 100 ℃; for 4h; under 15001.5 Torr;

DOI:10.1002/anie.201801287

Reference yield:

Diethyl phthalate (84-66-2) → diethyl cyclohexane-cis-1,2-dicarboxylate (17351-07-4,17351-22-3)

Guidance literature:

at 175 ℃; under 73550.8 Torr; Hydrogenation;

DOI:10.1021/ja01868a001

upstream raw materials:

cis-4-cyclohexene-1,2-dicarboxylic acid diethyl diester

Diethyl phthalate

diethyl 1,2,3,6-tetrahydrophthalate

Downstream raw materials:

1,1,3,3-tetraphenyl-cis-octahydro-isobenzofuran

cis-1.2-bis-(α-methoxy-benzhydryl)-cyclohexane

(±)-(1S, 2R)-cyclohexane-1,2-dimethanol bis(methanesulfonate)

cis-cyclohexane-1,2-diyldimethyl ditosylate

Refernces