Ethyl 4-cyclopentyl-4-oxobutyrate

Base Information

• Chemical Name: Ethyl 4-cyclopentyl-4-oxobutyrate
• CAS No.: 898753-83-8
• Molecular Formula: C₁₁H₁₈O₃
• Molecular Weight: 198.262
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10443989
• Wikidata: Q82261989
• Mol file: 898753-83-8.mol

Synonyms:ETHYL 4-CYCLOPENTYL-4-OXOBUTYRATE;898753-83-8;ethyl 4-cyclopentyl-4-oxobutanoate;MFCD01320322;DTXSID10443989;AKOS011349070;ETHYL4-CYCLOPENTYL-4-OXOBUTYRATE

Chemical Property of Ethyl 4-cyclopentyl-4-oxobutyrate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 291.131°C at 760 mmHg
• Flash Point: 124.468°C
• PSA: 43.37000
• Density: 1.046g/cm³
• LogP: 2.08900
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 198.125594432
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-cyclopentyl-4-oxobutyrate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(=O)C1CCCC1

Technology Process of Ethyl 4-cyclopentyl-4-oxobutyrate

There total 6 articles about Ethyl 4-cyclopentyl-4-oxobutyrate 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: 75.0%

1,3-dioxoisoindolin-2-yl cyclopentanecarboxylate (946513-95-7) + ethyl 4-oxo-4-(pyridin-2-ylthio)butanoate (1361492-39-8) → ethyl 4-(cyclopentyl)-4-oxobutanoate (898753-83-8)

Guidance literature:

With nickel(II) bromide dimethoxyethane; 4,4'-bis(carbomethoxy)-2,2'-bipyridine; zinc(II) chloride; zinc; In tetrahydrofuran; N,N-dimethyl acetamide; at 20 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201906000

Reference yield:

2-Pyridone (142-08-5,1199357-22-6) + ethyl 3-(chloroformyl)propionate (14794-31-1,97900-84-0) + 1-cyclopentyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate salt → ethyl 4-(cyclopentyl)-4-oxobutanoate (898753-83-8)

Guidance literature:

2-Pyridone; ethyl 3-(chloroformyl)propionate; With triethylamine; In dichloromethane; at 0 ℃; for 6h;

1-cyclopentyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate salt; With nickel(II) bromide dimethoxyethane; manganese; bathophenanthroline; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 24h; Inert atmosphere; Glovebox;

DOI:10.1002/anie.202002271

Reference yield:

Cyclopentanecarboxylic acid chloride (4524-93-0) + 1,1-di-tert-butyl 2-ethyl ethane-1,1,2-tricarboxylate (23550-28-9) → ethyl 4-(cyclopentyl)-4-oxobutanoate (898753-83-8)

Guidance literature:

With sodium hydride; toluene-4-sulfonic acid; Multistep reaction; 1.) THF, RT, 2 h, 2.) toluene, reflux, 2 h;

DOI:10.1021/jm9804228

upstream raw materials:

Cyclopentanecarboxylic acid chloride

1,1-di-tert-butyl 2-ethyl ethane-1,1,2-tricarboxylate

Cyclopentyl bromide

ethanol

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