Difurfurylideneacetone

Basic Information

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CAS Number

886-77-1

Molecular Formula

C13H10O3

Molecular Weight

214.22 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

51-55 °C

Boiling Point

314.35°C (rough estimate)

Density

1.1956 (rough estimate)

Refractive Index

1.5090 (estimate)

SMILES

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C1=COC(=C1)C=CC(=O)C=CC2=CC=CO2

InChI

InChI=1S/C13H10O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h1-10H/b7-5+,8-6+

InChIKey

XOOFLVNFEPIPIW-KQQUZDAGSA-N

LogP

3.168300000000002

Topological Polar Surface Area

43.35 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

266

Synonyms & References

English

1,4-Pentadien-3-one, 1,5-bis(2-furanyl)-
1,5-BIS-(2-FURANYL)-1,4-PENTADIEN-3-ONE
886-77-1
(1E,4E)-1,5-Di(furan-2-yl)penta-1,4-dien-3-one
1,5-Di-2-furylpenta-1,4-dien-3-one
HMS1474E05
Difurfurylideneacetone
1,5-Difuryl-1,4-pentadien-3-one
144850-49-7
1,5-Di-2-furanyl-1,4-pentadien-3-one
EINECS 212-955-2
1,4-Pentadien-3-one, 1,5-di-2-furyl-
SCHEMBL979497
DTXSID3061265
NCGC00174777-01
SR-01000395043-1
DIFA
NSC 24065
AKOS002347357
1,5-di(furan-2-yl)penta-1,4-dien-3-one
A842838
SR-01000395043
3-Pentadienone, 1,5-di-2-furyl-
1,3-Difurfurylideneacetone
difurfurylidene acetone
(1E,4E)-1,5-bis(furan-2-yl)penta-1,4-dien-3-one
1,5-Di-2-furyl-1,4-pentadien-3-one
ES-2009
1,5-Bis(2-furyl)-1,4-pentadien-3-one
SCHEMBL979495
A884719

MDL Number

MFCD00030601

Customs Code

2932190090

FAQ

What are the physical and chemical properties of Difurfurylideneacetone (CAS: 886-77-1)?

Difurfurylideneacetone (CAS: 886-77-1) is a crystalline compound with a molecular weight of approximately 246.18 g/mol. Its solubility in water is low, but it is soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive due to its furan ring system, making it suitable for various transformations in organic synthesis.

How is Difurfurylideneacetone (CAS: 886-77-1) typically synthesized?

Difurfurylideneacetone (CAS: 886-77-1) is commonly synthesized through a condensation reaction between furfural and acetylacetone. The reaction typically proceeds in an organic solvent at a temperature range of 80-100°C, using a catalyst such as p-toluenesulfonic acid. The yield and selectivity of the reaction can be improved by controlling the reaction conditions.

What industries use Difurfurylideneacetone (CAS: 886-77-1)?

Difurfurylideneacetone (CAS: 886-77-1) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for the modification of polymer properties, and sensors for detecting specific chemical compounds. It is also utilized in semiconductor industry for photoresist materials.

What precautions should be taken when handling Difurfurylideneacetone (CAS: 886-77-1)?

When handling Difurfurylideneacetone (CAS: 886-77-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled with caution, using absorbent materials and disposing of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.