Ethyl 2-oxotetrahydro-3-furancarboxylate

Basic Information

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CAS Number

77513-58-7

Molecular Formula

C7H10O4

Molecular Weight

158.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

277.6°C at 760 mmHg

Density

1.213

Flash Point

142.2°C

Refractive Index

1.46

SMILES

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CCOC(=O)C1CCOC1=O

InChI

InChI=1S/C7H10O4/c1-2-10-6(8)5-3-4-11-7(5)9/h5H,2-4H2,1H3

InChIKey

JVRMSXLSEPWFIT-UHFFFAOYSA-N

LogP

0.11260000000000003

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

175

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

ethyl 2-oxotetrahydrofuran-3-carboxylate
5-18-08-00005 (Beilstein Handbook Reference)
Carbethoxybutyrolactone
3-Furoic acid, tetrahydro-2-oxo-, ethyl ester
AKOS022182655
CDA51358
Tetrahydro-2-oxo-3-furoic acid ethyl ester
ethyl (+/-)-tetrahydro-2-oxo-3-furoate
D82353
3-Furancarboxylic acid, tetrahydro-2-oxo-, ethyl ester
DTXSID60918298
ethyl 2-oxooxolane-3-carboxylate
MFCD01725680
77513-58-7
BRN 0130517
Ethyl tetrahydro-2-oxo-3-furancarboxylate
SCHEMBL7370611
DS-15234
936-13-0
ethyl2-oxotetrahydrofuran-3-carboxylate
Ethyl 2-oxotetrahydrofuran-3-carboxylate
3-ethyl-2-oxofuran-3-carboxylic acid
3-(Ethoxycarbonyl)-g-butyrolactone
3-Furancarboxylicacid, tetrahydro-2-oxo-, ethyl ester, (?à)-
a-(Ethoxycarbonyl)-g-butyrolactone
Ethyl g-butyrolactone-a-carboxylate
Ethyl tetrahydro-2-oxo-3-furoate
3-furancarboxylic acid, tetrahydro-2-oxo-, ethyl ester(9ci)
3-Furancarbo

MDL Number

MFCD01725680

FAQ

What regulatory guidelines apply to Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7)?

Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7) falls under various regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a flammable liquid. In the European Union, it is covered by the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. Additionally, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements for its handling and use in the United States.

Are there alternatives to Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7) in synthesis?

Alternative reagents to Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7) include ethyl 2-oxopiperidin-3-carboxylate and ethyl 2-oxopyrrolidin-3-carboxylate. These analogs can be used as substitutes depending on the specific reaction conditions and desired product. The choice of alternative will depend on the functional group requirements and the overall synthetic route.

What is the market or research trend for Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7)?

The market for Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7) is growing due to its use in the synthesis of various pharmaceuticals and natural products. Research trends are focused on its application in medicinal chemistry, particularly in the development of new drugs. The increasing interest in sustainable and environmentally friendly synthesis methods is also driving its use in green chemistry initiatives.

How should waste containing Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7) be handled?

Waste containing Ethyl 2-oxotetrahydro-3-furancarboxylate (CAS: 77513-58-7) should be collected in appropriate containers and stored separately to prevent contamination. It should be disposed of through a hazardous waste management service that adheres to local, national, and international regulations. Incineration is a common method for disposing of such waste, but professional waste disposal services should be utilized to ensure compliance with environmental protection standards and safety regulations.