Ethyl 1-benzyl-2-oxocyclopentanecarboxylate

Base Information

• Chemical Name: Ethyl 1-benzyl-2-oxocyclopentanecarboxylate
• CAS No.: 50984-08-2
• Molecular Formula: C15H18O3
• Molecular Weight: 246.306
• NSC Number: 105435
• DSSTox Substance ID: DTXSID80295770,DTXSID30965633
• Nikkaji Number: J683.379I
• Wikidata: Q82035915
• Mol file: 50984-08-2.mol

Synonyms:ethyl 1-benzyl-2-oxocyclopentanecarboxylate;50984-08-2;ethyl 1-benzyl-2-oxocyclopentane-1-carboxylate;NSC105435;SCHEMBL4806628;DTXSID30965633;DTXSID80295770;IKDYNDOAHRZGKH-UHFFFAOYSA-N;NSC-105435;5136-75-4;Ethyl 1-benzyl-2-oxocyclopentane carboxylate

Chemical Property of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate

Chemical Property:

• Vapor Pressure: 3.21E-05mmHg at 25°C
• Boiling Point: 355.1°Cat760mmHg
• Flash Point: 155.1°C
• Density: 1.139g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 246.125594432
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCC1=O)CC2=CC=CC=C2

Technology Process of Ethyl 1-benzyl-2-oxocyclopentanecarboxylate

There total 9 articles about Ethyl 1-benzyl-2-oxocyclopentanecarboxylate 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: 97.0%

benzyl bromide (100-39-0) + 2-ethoxycarbonyl-1-cyclopentanone (611-10-9) → ethyl 1-benzyl-2-oxocyclopentanecarboxylate (50984-08-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 0.0666667h; microwave irradiation;

DOI:10.1016/j.tetlet.2007.12.089

Reference yield: 53.0%

ethyl 1-(2-bromobenzyl)-2-oxocyclopentane-1-carboxylate (112818-04-9) → ethyl 1-benzyl-2-oxocyclopentanecarboxylate (50984-08-2) + 2-(2-Oxo-cyclopentylmethyl)-benzoic acid ethyl ester (138536-49-9) + (3aS,8aR)-3a-Hydroxy-2,3,3a,8-tetrahydro-1H-cyclopenta[a]indene-8a-carboxylic acid ethyl ester (138536-48-8)

Guidance literature:

With tetrabutyl-ammonium chloride; trimethylsilyltributyltin; In N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.1016/0022-328X(93)80407-3

Reference yield: 14.0%

ethyl 1-(2-bromobenzyl)-2-oxocyclopentane-1-carboxylate (112818-04-9) → ethyl 1-benzyl-2-oxocyclopentanecarboxylate (50984-08-2) + ethyl 10-oxo-5,6,7,8,9,10-hexahydro-benzoylcyclooctene-6-carboxylate (112818-06-1)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 1h; Heating;

DOI:10.1021/ja00216a033

upstream raw materials:

benzyl bromide

ethyl 2-oxo-cyclopentanecarboxylate potassium salt

Sodium; 2-ethoxycarbonyl-cyclopent-1-enolate

benzyl chloride

Downstream raw materials:

2-benzylcyclopentanone

ethyl 1-benzyl-3-bromo-2-oxocyclopentanecarboxylate

3-Benzyl-1,2-cyclohexandion

2-benzyl-2-ethoxycarbonyl-cyclopentanol

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