Ethyl 2-oxocyclopentanecarboxylate

CAS No.：611-10-9

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Ethyl 2-oxocyclopentanecarboxylate Basic information

Product Name:	Ethyl 2-oxocyclopentanecarboxylate
Synonyms:	ETHYL-2-CYCLOPENTANONECARBOXYLATE;ETHYL 2-OXOCYCLOPENTANECARBOXYLATE;CYCLOPENTANONE-2-CARBOXYLIC ACID ETHYL ESTER;Ethyl 2-oxocyclopentanecarboxylate, tech., 90% 100GR;Ethyl 2-oxocyclopentanecarboxylate, tech., 90% 25GR;2-Carbethoxycyclopentanone 2-Ethoxycarbonylcyclopentanone Cyclopentanone-2-carboxylic Acid Ethyl Ester Ethyl Cyclopentanone-2-carboxylate 2-Oxocyclopentanecarboxylic Acid Ethyl Ester;Ethyl 2-oxocyclopentanecarboxylate,2-(Ethoxycarbonyl)cyclopentanone, Ethyl cyclopentanone-2-carboxylate;Ethyl-2-cyclopentanonecarboxylate 10g [611-10-9]
CAS:	611-10-9
MF:	C8H12O3
MW:	156.18
EINECS:	210-253-0
Product Categories:	Pharmaceutical Intermediates;BUILDING BLOCKS;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis;fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis, functional materials;Organic Building Blocks
Mol File:	611-10-9.mol

Ethyl 2-oxocyclopentanecarboxylate Chemical Properties

Boiling point	102-104 °C/11 mmHg (lit.)
density	1.054 g/mL at 25 °C (lit.)
refractive index	n20/D 1.452(lit.)
Fp	172 °F
storage temp.	Sealed in dry,Room Temperature
form	Liquid
pka	12.02±0.20(Predicted)
color	Clear colorless to pale yellow
Water Solubility	insoluble
BRN	387787
InChIKey	JHZPNBKZPAWCJD-UHFFFAOYSA-N
CAS DataBase Reference	611-10-9(CAS DataBase Reference)
NIST Chemistry Reference	Cyclopentanecarboxylic acid, 2-oxo-, ethyl ester(611-10-9)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	23-24/25-36/37-26
WGK Germany	3
F	10
HazardClass	IRRITANT
HS Code	29183000

MSDS Information

Provider	Language
2-(Ethoxycarbonyl)cyclopentanone	English
ACROS	English
SigmaAldrich	English
ALFA	English

Ethyl 2-oxocyclopentanecarboxylate Usage And Synthesis

Chemical Properties	clear colourless to pale yellow liquid
Uses	Pharmaceutical intermediate.
Uses	Ethyl 2-oxocyclopentanecarboxylate was used in stereoselective synthesis of (±)-cis,cis-spiro[4.4]nonane-1,6-diol. It was also used in the synthesis of tanikolide.
Synthesis Reference(s)	Journal of the American Chemical Society, 85, p. 207, 1963 DOI: 10.1021/ja00885a021The Journal of Organic Chemistry, 55, p. 5037, 1990 DOI: 10.1021/jo00304a014Tetrahedron Letters, 22, p. 1353, 1981 DOI: 10.1016/S0040-4039(01)90316-8
General Description	Phase-transfer benzylation reaction of ethyl 2-oxocyclopentanecarboxylate with benzyl bromide in microreactor has been investigated. Ethyl 2-oxocyclopentanecarboxylate participates in cobalt (II) Schiff′s base complex catalyzed oxidation of primary and secondary alcohols.
Hazard	Vapors are toxic, as is skin contact.

Ethyl 2-oxocyclopentanecarboxylate Preparation Products And Raw materials

Raw materials	Tetrahydrofuran-->Acetic acid-->Sodium-->Toluene-->Potassium tert-butoxide-->Diethyl adipate-->Cyclopentanecarboxylic acid, 1-bromo-2-oxo-, ethyl ester-->1,4-Dioxaspiro[4.4]nonane-6-carboxylic acid, ethyl ester
Preparation Products	3-Indolepropionic acid-->1-Cyclopentene-1-carboxylic acid, 2-(benzoylamino)-, ethyl ester-->Naphth[2,3-b]oxiren-2(1aH)-one, 7,7a-dihydro-7-hydroxy-1a,7-dimethyl--->2-CYCLOPENTANONE CARBOXYLATE-->3-oxo-2-pentylcyclopentaneacetic acid-->7-Hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one-->MDL-29951-->Monoethyl Adipate

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