Ethyl cyclopentanecarboxylate

Base Information

• Chemical Name: Ethyl cyclopentanecarboxylate
• CAS No.: 5453-85-0
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• Hs Code.: 2916209090
• European Community (EC) Number: 226-699-4
• NSC Number: 18903
• UNII: 2KB7W3C29Q
• DSSTox Substance ID: DTXSID60202942
• Nikkaji Number: J210.504G
• Wikidata: Q83076298
• Mol file: 5453-85-0.mol

Synonyms:Ethyl cyclopentanecarboxylate;5453-85-0;ethyl cyclopentane carboxylate;cyclopentanecarboxylic acid ethyl ester;Cyclopentanecarboxylic acid, ethyl ester;ethyl cyclopentylcarboxylate;2KB7W3C29Q;EINECS 226-699-4;NSC-18903;ethylcyclopentanecarboxylate;CARBETHOXYCYCLOPENTANE;UNII-2KB7W3C29Q;SCHEMBL18367;DTXSID60202942;NSC18903;NSC 18903;AKOS008948070;AS-83002;CS-0235375;FT-0726836;E85330;EN300-155928;Z53835896

Chemical Property of Ethyl cyclopentanecarboxylate

Chemical Property:

• Vapor Pressure: 1.01mmHg at 25°C
• Melting Point: 109 °C
• Boiling Point: 178.1°C at 760 mmHg
• Flash Point: 56.4°C
• PSA: 26.30000
• Density: 0.995g/cm³
• LogP: 1.73970
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

Ethylcyclopentanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCC1

Technology Process of Ethyl cyclopentanecarboxylate

There total 17 articles about Ethyl cyclopentanecarboxylate 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: 94.0%

ethanol (64-17-5) + cyclopentanecarboxylic acid (3400-45-1) → ethyl cyclopentanecarboxylate (5453-85-0)

Guidance literature:

With sulfuric acid; for 5h; Heating;

DOI:10.1021/jm010358l

Reference yield: 78.0%

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) + ethanol (64-17-5) → ethyl cyclopentanecarboxylate (5453-85-0)

Guidance literature:

With lead(IV) acetate; boron trifluoride diethyl etherate; In benzene; for 30h; Ambient temperature;

DOI:10.1016/S0040-4039(00)92837-5

Reference yield: 70.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + orthoformic acid triethyl ester (122-51-0) → ethyl cyclopentanecarboxylate (5453-85-0)

Guidance literature:

With lead(IV) acetate; perchloric acid; for 28h; Ambient temperature;

DOI:10.1080/00397919608003716

upstream raw materials:

ethanol

cyclopentanecarboxylic acid

2-Chlorocyclohexanone

cyclopentane-1,1-dicarboxylic acid diethyl ester

Downstream raw materials:

1-[(4-methoxyphenyl)methyl]cyclopentanecarboxylic acid ethyl ester

1-[(4-Methoxyphenyl)methyl]cyclopentane Carboxylic Acid

7-azaspiro[4.5]decan-6-one

Refernces

• 1、 Chanda, Tanmoy,Chowdhury, Sushobhan,Anand, Namrata,Koley, Suvajit,Gupta, Ashutosh,Singh, Maya Shankar. "Synthesis of 3-hydroxyindanones via potassium salt of amino acid catalyzed regioselective intramolecular aldolization of ortho-diacylbenzenes". supporting information. p. 981 - 985. Retrieved 2015/03/04.
• 2、 Bovino, Michael T.,Liwosz, Timothy W.,Kendel, Nicole E.,Miller, Yan,Tyminska, Nina,Zurek, Eva,Chemler, Sherry R.. "Enantioselective copper-catalyzed carboetherification of unactivated alkenes". supporting information. p. 6383 - 6387. Retrieved 2014/06/24.