3-Bromodihydro-2H-pyran-4(3H)-one

Basic Information

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CAS Number

98021-79-5

Molecular Formula

C5H7BrO2

Molecular Weight

179.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

226.5±35.0 ºC (760 Torr),

Density

1.652±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

90.8±25.9 ºC,

SMILES

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C1COCC(C1=O)Br

InChI

InChI=1S/C5H7BrO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2

InChIKey

ZGULSQDBOSMIBZ-UHFFFAOYSA-N

LogP

0.7393000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

103

Synonyms & References

English

3-Bromotetrahydropyran-4-one
3-Bromodihydro-2H-pyran-4(3H)-one
3-bromotetrahydro-4H-pyran-4-one
3-Bromo-tetrahydro-pyran-4-one
3-bromo-tetrahydro-4H-pyran-4-one
3-Brom-tetrahydropyran-4-on
4H-Pyran-4-one,3-bromotetrahydro
RB3241
3-BROMOOXAN-4-ONE
4H-Pyran-4-one, 3-bromotetrahydro-
ZGULSQDBOSMIBZ-UHFFFAOYSA-N
BCP30696
4586AF
3-BROMO-TETRAHYDROPYRAN-4-ONE
TRA0101340
PB18064
SY030109
3-Bromodihydro-2H-pyran-4(3H)-on;4H-Pyran-4-one
3-Bromotetrahydro-4H-pyran-4-one (ACI)
3-Bromooxan-4-one
3-Bromotetrahydro-2H-pyran-4-one
3-bromooxan-4-one
YDA02179
3-BROMODIHYDRO-2H-PYRAN-4(3H)-ONE
AS-54432
3-BROMOTETRAHYDRO-4H-PYRAN-4-ONE
DTXSID10623582
3-Bromodihydro-2H-pyran-4(3H)-on;4H-Pyran-4-one, 3-bromotetrahydro-
SCHEMBL198306
EN300-99707
3-bromo-tetrahydro-pyran-4-one

MDL Number

MFCD13193743

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 3-Bromodihydro-2H-pyran-4(3H)-one (CAS: 98021-79-5)?

3-Bromodihydro-2H-pyran-4(3H)-one is a crystalline solid with a molecular weight of approximately 222.01 g/mol. It has a low solubility in water but is more soluble in common organic solvents like ethanol and acetone. This compound is known for its chemical reactivity, particularly its tendency to undergo nucleophilic substitution reactions due to the presence of the bromine atom.

How is 3-Bromodihydro-2H-pyran-4(3H)-one (CAS: 98021-79-5) typically synthesized?

3-Bromodihydro-2H-pyran-4(3H)-one is typically synthesized via a bromination reaction of 3-hydroxy-2H-pyran-4(3H)-one. The reaction is usually catalyzed by N-bromosuccinimide (NBS) in the presence of a radical initiator like benzoyl peroxide. The yield and selectivity of the reaction can be improved by optimizing reaction conditions such as temperature and solvent choice.

What industries use 3-Bromodihydro-2H-pyran-4(3H)-one (CAS: 98021-79-5)?

3-Bromodihydro-2H-pyran-4(3H)-one is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for modifying the properties of polymers, and in the sensor and semiconductor industries for specific chemical detection and electronic applications.

What precautions should be taken when handling 3-Bromodihydro-2H-pyran-4(3H)-one (CAS: 98021-79-5)?

When handling 3-Bromodihydro-2H-pyran-4(3H)-one, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be handled in a fume hood due to its potential volatility and reactivity. In case of spill, it should be cleaned up carefully according to the Safety Data Sheet (SDS) guidelines. Always refer to the latest SDS for detailed safety information.