6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde

Basic Information

View in Editor

CAS Number

49619-58-1

Molecular Formula

C13H12O3

Molecular Weight

216.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

97.0 to 101.0 deg-C

Boiling Point

339.8°Cat760mmHg

Density

1.259

Flash Point

150.2°C

Refractive Index

1.622

SMILES

View in Editor

CC(C)C1=CC2=C(C=C1)OC=C(C2=O)C=O

InChI

InChI=1S/C13H12O3/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-8H,1-2H3

InChIKey

FRRYMYQANNFABF-UHFFFAOYSA-N

LogP

2.728900000000001

Topological Polar Surface Area

47.28 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

330

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H401 Toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

4-oxo-6-propan-2-ylchromene-3-carbaldehyde
6-Isopropyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde
T72519
4h-1-benzopyran-6-isopropyl-4-oxo-3-carboxaldehyde
SCHEMBL127098
CHEMBL314229
WLZ3529
F0856
6-isopropyl-4-oxo-4h-1-benzopuran-3-carboxaldehyde
6-Isopropyl-4-oxo-4H-1-benzopuran-3-carboxaldehyde;AM-3;3-Cyano-4-methony-2-(1H)-pyridinone
CS-0215127
EN300-22565
6-Isopropyl-4-Oxo-4H-1-Benzopuran-3-Carboxal Dehyde
BDBM50131082
BP-12446
AKOS015889650
A24902
49619-58-1
4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde
6-isopropyl-4-oxo-chromene-3-carbaldehyde
AC-4715
3-Formyl-6-isopropylchromone, 99%
Z147646894
MFCD00192183
6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde
6-Isopropylchromone-3-carboxaldehyde
3-Formyl-6-isopropylchromone
4H-1-Benzopyran-3-carboxaldehyde, 6-(1-methylethyl)-4-oxo-
DTXSID90350965
FT-0639872
6-Isopropyl-4-oxo-4H-1-benzopuran-3-carboxaldehyde

MDL Number

MFCD00192183

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde (CAS: 49619-58-1)?

6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde (CAS: 49619-58-1) is a solid compound with a crystalline form. It has a molecular weight of approximately 242.33 g/mol and is slightly soluble in common organic solvents like methanol and ethanol. The compound is reactive towards nucleophiles, making it suitable for various chemical transformations. It is stable under normal laboratory conditions but can degrade upon prolonged exposure to light and moisture.

How is 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde (CAS: 49619-58-1) typically synthesized?

6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde can be synthesized via a condensation reaction between isopropylidene acetone and chromone in the presence of a strong acid catalyst. The reaction is carried out in anhydrous conditions to ensure high selectivity and yield. The resulting compound is then purified by recrystallization or column chromatography.

What industries use 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde (CAS: 49619-58-1)?

6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde (CAS: 49619-58-1) is primarily used in the pharmaceutical industry for the development of certain drug candidates. It also finds applications in the polymer industry for enhancing the properties of certain polymers, and in the sensor industry for creating sensitive chemical sensors. Its use in semiconductors is limited but can be explored for specific applications.

What precautions should be taken when handling 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde (CAS: 49619-58-1)?

When handling 6-Isopropyl-4-oxo-4H-chromene-3-carbaldehyde (CAS: 49619-58-1), appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. The compound should be stored in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.