1-[4-(Benzyloxy)phenyl]-1-propanone

Basic Information

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CAS Number

4495-66-3

Molecular Formula

C16H16O2

Molecular Weight

240.3 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

99-102 °C

Boiling Point

343.02°C (rough estimate)

Flash Point

174.4 °C

Refractive Index

1.6000 (estimate)

SMILES

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CCC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

InChIKey

IKFGSOJYHVTNDV-UHFFFAOYSA-N

LogP

3.8583000000000025

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

248

Synonyms & References

English

A826694
EINECS 224-788-2
4-Benzyloxy-propiophenone
4'-(benzyloxy)propiophenone
W-106173
1-(4-(benzyloxy)phenyl)propan-1-one
2-(2-Methoxybenzoyl)hydrazinecarbothioamide
CS-W012805
p-(benzyloxy)propiophenone
4-Benzyloxypropiophenone
AM81004
FT-0616698
1-[4-(Benzyloxy)phenyl]-1-propanone
1-Propanone, 1-[4-(phenylmethoxy)phenyl]-
DTXSID70196343
SCHEMBL102983
1-(4-phenylmethoxyphenyl)propan-1-one
1-[4-(Benzyloxy)phenyl]propan-1-one
STR06699
4 inverted exclamation mark -(Benzyloxy)propiophenone
1-(4-benzyloxyphenyl)propan-1-one
NSC 41188
NSC41188
AKOS000202212
1-(4-benzyloxyphenyl)propane-1-one
3AE8SS5B76
4-benzyloxy propiophenone
1-(4-Benzyloxy)phenyl)propan-1-one
1-[4-(Benzyloxy)phenyl]-1-propanone #
I11696
NS00031467

MDL Number

MFCD00009311

Customs Code

2914509090

FAQ

What are the physical and chemical properties of 1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3)?

The compound 1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3) is a white crystalline solid with a molecular weight of approximately 262.27 g/mol. It has a low solubility in water (0.1 g/100 ml at 20°C) but is more soluble in organic solvents like ethanol and acetone. It is a stable compound under normal conditions, but it can undergo intramolecular rearrangement under basic conditions. The compound is not reactive towards common oxidizing or reducing reagents. It is used in various chemical reactions due to its functional groups.

How is 1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3) typically synthesized?

1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3) is typically synthesized via the Corey-Kim benzylization protocol. The reaction involves the coupling of 4-benzyloxybenzaldehyde with acetone in the presence of a catalyst such as Lewis acid or a base. The yield is generally high, and the product can be isolated by recrystallization or column chromatography.

What industries utilize 1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3)?

1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3) is used in the pharmaceutical industry for the synthesis of various drugs due to its functional groups. It is also utilized in the polymer industry for the preparation of high-performance materials. Additionally, it can be used in the production of sensors and semiconductors due to its reactivity and structural properties.

What precautions should be taken when handling 1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3)?

When handling 1-[4-(Benzyloxy)phenyl]-1-propanone (CAS: 4495-66-3), appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up carefully using appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS) for the compound.