Ethyl tetrahydro-2H-pyran-3-carboxylate

Basic Information

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CAS Number

118870-83-0

Molecular Formula

C8H14O3

Molecular Weight

158.2 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

SMILES

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CCOC(=O)C1CCCOC1

InChI

InChI=1S/C8H14O3/c1-2-11-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3

InChIKey

QWLVUZIISWEWFO-UHFFFAOYSA-N

LogP

0.9761

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

133

Synonyms & References

English

Ethyl tetrahydro-2H-pyran-3-carboxylate
ethyl oxane-3-carboxylate
2H-Pyran-3-carboxylic acid, tetrahydro-, ethyl ester
Tetrahydro-pyran-3-carboxylic acid ethyl ester
118870-83-0
ETHYL OXANE-3-CARBOXYLATE
CS-0437546
F52662
SCHEMBL11301518
Ethyltetrahydro-2H-pyran-3-carboxylate
AKOS012053564
AS-82349
DB-351663
Tetrahydro-2H-pyran-3-carboxylic acid ethyl ester
DTXSID90734463
MFCD16865221

MDL Number

MFCD16865221

FAQ

What are the physical and chemical properties of Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0)?

Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0) is a colorless liquid with a molecular weight of approximately 162.19 g/mol. It has a low viscosity and is slightly soluble in water. It exhibits good reactivity with various nucleophiles and is often used as an intermediate in organic synthesis. It has a melting point of -20°C and a boiling point of 171°C.

How is Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0) typically synthesized?

Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0) can be synthesized via the esterification of 3-carboxy-2,3-dihydro-1H-pyrane with ethanol in the presence of a suitable acid catalyst, such as sulfuric acid. The reaction requires gentle heating, and the yield can be as high as 80-90%. This compound is also obtained by reacting 3-carboxy-2,3-dihydro-1H-pyrane with ethyl chloroformate under anhydrous conditions.

What industries use Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0)?

Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0) is predominantly used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of complex organic molecules and is also utilized in the formulation of certain polymers due to its ability to act as a comonomer. Additionally, it finds applications in the production of sensors and semiconductors.

What precautions should be taken when handling Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0)?

When handling Ethyl tetrahydro-2H-pyran-3-carboxylate (CAS: 118870-83-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a closed container at room temperature away from moisture and heat sources. In case of a spill, it must be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.