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4-Cyclopentyl-3-oxo-butyric acid ethyl ester, also known as ethyl 4-cyclopentyl-3-oxobutanoate, is a chemical compound with the molecular formula C10H16O3. It is an ethyl ester derivative of 4-cyclopentyl-3-oxo-butyric acid, which serves as a precursor in the synthesis of certain pharmaceuticals, particularly those targeting neurological disorders. 4-CYCLOPENTYL-3-OXO-BUTYRIC ACID ETHYL ESTER is widely utilized as an intermediate in organic synthesis and is recognized for its potential applications in medicinal chemistry. Characterized by its clear, colorless liquid form and a fruity odor, it is crucial to handle this chemical with care due to its potential harmful effects if ingested or inhaled.

68104-99-4

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68104-99-4 Usage

Uses

Used in Pharmaceutical Industry:
4-Cyclopentyl-3-oxo-butyric acid ethyl ester is used as a chemical intermediate for the synthesis of pharmaceuticals, specifically those aimed at treating neurological disorders. Its role in the development of medications is attributed to its ability to serve as a building block in the creation of more complex molecules with therapeutic properties.
Used in Organic Synthesis:
In the field of organic synthesis, 4-Cyclopentyl-3-oxo-butyric acid ethyl ester is employed as a versatile intermediate. It is utilized in the preparation of various organic compounds, contributing to the advancement of chemical research and the development of new materials and substances with diverse applications.
Used in Medicinal Chemistry:
4-Cyclopentyl-3-oxo-butyric acid ethyl ester is used as a key component in medicinal chemistry for its potential to contribute to the discovery and design of new drugs. Its unique structure allows it to be a valuable asset in the synthesis of molecules with specific biological activities, potentially leading to the creation of innovative treatments for various conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 68104-99-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,8,1,0 and 4 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 68104-99:
(7*6)+(6*8)+(5*1)+(4*0)+(3*4)+(2*9)+(1*9)=134
134 % 10 = 4
So 68104-99-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H18O3/c1-2-14-11(13)8-10(12)7-9-5-3-4-6-9/h9H,2-8H2,1H3

68104-99-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 4-cyclopentyl-3-oxobutanoate

1.2 Other means of identification

Product number -
Other names 4-cyclopentyl-acetoacetic acid ethyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:68104-99-4 SDS

68104-99-4Downstream Products

68104-99-4Relevant academic research and scientific papers

Affinity of 3-acyl substituted 4-quinolones at the benzodiazepine site of GABAA receptors

Lager, Erik,Nilsson, Jakob,stergaard Nielsen, Elsebet,Nielsen, Mogens,Liljefors, Tommy,Sterner, Olov

, p. 6936 - 6948 (2008/12/21)

The finding that alkyl 1,4-dihydro-4-oxoquinoline-3-carboxylate and N-alkyl-1,4-dihydro-4-oxoquinoline-3-carboxamide derivatives may be high-affinity ligands at the benzodiazepine binding site of the GABAA receptor, prompted a study of 3-acyl-1,4-dihydro-4-oxoquinoline (3-acyl-4-quinolones). In general, the affinity of the 3-acyl derivatives was found to be comparable with the 3-carboxylate and the 3-carboxamide derivatives, and certain substituents (e.g., benzyl) in position 6 were again shown to be important. As it is believed that the benzodiazepine binding site is situated between an α- and a γ-subunit in the GABAA receptor, selected compounds were tested on the α1β2γ2s, α2β2γ2s and α3β2γ2s GABAA receptor subtypes. The 3-acyl-4-quinolones display various degrees of selectivity for α1- versus α2- and α3-containing receptors, and high-affinity ligands essentially selective for α1 over α3 were developed.

SYNTHESIS OF dl-PENTALENOLACTONES E AND F.

Cane,Thomas

, p. 5295 - 5303 (2007/10/12)

The methyl esters of ( plus or minus )-pentalenolactone E and F have been synthesized by a route based on the intramolecular insertion of an alpha -acylcarbene into an unactivated C-H bond to effect closure of the key fused delta -lactone ring system. Lactone reduction, deketalization, and selective acetalization of the derived lactol provided as a mixture of epimers.

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