Diethyl cyclopentane-1,1-dicarboxylate

Base Information

• Chemical Name: Diethyl cyclopentane-1,1-dicarboxylate
• CAS No.: 4167-77-5
• Molecular Formula: C11H18O4
• Molecular Weight: 214.262
• Hs Code.: 29172090
• European Community (EC) Number: 224-024-8
• NSC Number: 67352
• UNII: HA543F6CEE
• DSSTox Substance ID: DTXSID40194492
• Nikkaji Number: J80.765F
• Wikidata: Q72469254
• Mol file: 4167-77-5.mol

Synonyms:diethyl cyclopentane-1,1-dicarboxylate;4167-77-5;Diethyl 1,1-cyclopentanedicarboxylate;1,1-Cyclopentanedicarboxylic acid, diethyl ester;EINECS 224-024-8;1,1-Cyclopentanedicarboxylic acid diethyl ester;HA543F6CEE;NSC 67352;NSC-67352;AI3-11605;CholesterolMethylCarbonate;UNII-HA543F6CEE;NCIOpen2_003184;SCHEMBL1152835;DTXSID40194492;AMY22861;CS-B1208;NSC67352;MFCD00219321;AKOS011997596;diethyl 1,1-cyclopentane dicarboxylate;Diethyl cyclopentane-1,1 dicarboxylate;DS-4297;1,1-diethyl cyclopentane-1,1-dicarboxylate;A6861;FT-0716185;EN300-64978;Diethyl cyclopentane-1,1-dicarboxylate, AldrichCPR;1,1-Cyclopentanedicarboxylic acid diethyl ester, 97%

Chemical Property of Diethyl cyclopentane-1,1-dicarboxylate

Chemical Property:

• Vapor Pressure: 0.0278mmHg at 25°C
• Refractive Index: 1.4450
• Boiling Point: 246 °C at 760 mmHg
• Flash Point: 110.4 °C
• PSA: 52.60000
• Density: 1.096 g/cm³
• LogP: 1.67300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 214.12050905
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

DiethylCyclopentane-1,1-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Diethyl cyclopentane-1,1-dicarboxylate

There total 23 articles about Diethyl cyclopentane-1,1-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%

Cyclopent-3-ene-1,1-dicarboxylic acid diethyl ester (21622-00-4) → cyclopentane-1,1-dicarboxylic acid diethyl ester (4167-77-5)

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; formic acid; sodium hydride; In tetrahydrofuran; at 80 ℃; for 6h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1039/c4ob02480j

Reference yield: 96.0%

diallylmalonic acid diethyl ester (3195-24-2) → cyclopentane-1,1-dicarboxylic acid diethyl ester (4167-77-5)

Guidance literature:

diallylmalonic acid diethyl ester; With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; In dichloromethane; at 40 ℃; for 1h; Inert atmosphere;

With hydrogen; In isopropyl alcohol; at 20 ℃; for 0.5h; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/asia.201300360

Reference yield: 93.0%

1,4-dibromo-butane (110-52-1) + diethyl malonate (105-53-3) → cyclopentane-1,1-dicarboxylic acid diethyl ester (4167-77-5)

Guidance literature:

With potassium carbonate; [bmim]Br; In N,N-dimethyl-formamide; at 20 ℃; for 7h;

DOI:10.1016/j.tetlet.2004.11.141

upstream raw materials:

1,4-dibromo-butane

ethanol

sodium diethylmalonate

cyclopentane-1,1-dicarboxylic acid

Downstream raw materials:

7-Phenyl-7,9-diaza-spiro[4.5]decane-6,8,10-trione

1,1-cyclopentanediacetic acid

2,2'-(cyclopentane-1,1-diyl)bis(ethan-1-ol)

Spiro

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 001498; 001499; 001508; 001509. . Retrieved 2021/01/22.
• 2、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 001540; 001541; 001542; 001550; 0015518; 001552. . Retrieved 2019/07/17.