1-(4-Bromo-2,5-dimethoxyphenyl)ethanone

Basic Information

View in Editor

CAS Number

90841-64-8

Molecular Formula

C10H11BrO3

Molecular Weight

259.1 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

101 ºC (methanol )

Density

1.399±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

View in Editor

CC(=O)C1=CC(=C(C=C1OC)Br)OC

InChI

InChI=1S/C10H11BrO3/c1-6(12)7-4-10(14-3)8(11)5-9(7)13-2/h4-5H,1-3H3

InChIKey

PXIBOMTVNQIFET-UHFFFAOYSA-N

LogP

2.6689000000000007

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

208

Synonyms & References

English

4 inverted exclamation mark -Bromo-2 inverted exclamation mark ,5 inverted exclamation mark -dimethoxyacetophenone
C16669
4'-Bromo-2',5'-dimethoxyacetophenone
SCHEMBL17749683
AKOS022175013
1-(4-broMo-2,5-diMethoxyphenyl)ethanone
MFCD13659300
DTXSID50557812
AB90840
SY030407
1-(4-Bromo-2,5-dimethoxyphenyl)ethan-1-one
CS-0434964
Z1269120149
90841-64-8
EN300-7354436
1-(4-Bromo-2,5-dimethoxyphenyl)ethanone
1-(4-Bromo-3,5-dimethoxyphenyl)ethanone

MDL Number

MFCD13659300

FAQ

What are the physical and chemical properties of 1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8)?

1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8) is a crystalline white solid with a molecular weight of approximately 305.04 g/mol. It is sparingly soluble in water but soluble in organic solvents like methanol and acetone. The compound exhibits limited reactivity under normal conditions, but it can undergo bromination and methoxylation reactions under specific conditions. It has a melting point of around 100-102°C and decomposes above 210°C.

How is 1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8) typically synthesized?

1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8) is typically synthesized via a condensation reaction of 4-bromo-2,5-dimethoxybenzaldehyde with acetaldehyde in the presence of a suitable base such as sodium hydroxide. The reaction proceeds under reflux conditions, and the yield can range from 70-80%. The reaction is highly selective and can be performed in high purity.

What industries use 1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8)?

1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8) is utilized in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various pharmaceuticals and organic polymers. Additionally, it can be used in the development of sensors and as a precursor in semiconductor manufacturing. Its use in these industries is driven by its unique chemical structure and reactivity.

What precautions should be taken when handling 1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8)?

When handling 1-(4-Bromo-2,5-dimethoxyphenyl)ethanone (CAS: 90841-64-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Proper ventilation is necessary during handling, and reactions should be conducted in a fume hood. In case of spills, immediately clean up using appropriate absorbent materials and seek assistance from laboratory safety personnel. Always refer to the Safety Data Sheet (SDS) for detailed safety information.