Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate

Basic Information

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CAS Number

154477-54-0

Molecular Formula

C15H19ClO3

Molecular Weight

282.77 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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C1=CC=C(C=C1)C(=O)CCCCl)C(=O)OC

InChI

InChI=1S/C15H19ClO3/c1-15(2,14(18)19-3)12-8-6-11(7-9-12)13(17)5-4-10-16/h6-9H,4-5,10H2,1-3H3

InChIKey

ULWORPZJUIFPIC-UHFFFAOYSA-N

LogP

3.3389000000000015

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

317

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

methyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylphenylacetate
2-[4-(4-chlorobutyryl)-phenyl]-2-methyl-propionic acid methyl ester
AC-8097
AS-15325
METHYL 2-(4-[4-(4-BENZHYDRYLOXY-PIPERIDIN-1-YL)-BUTYRYL]-PHENYL)-2-METHYLPROPIONATE
(4-(4-Chloro-1-oxobutyl)phenyl)-alpha,alpha-dimethylacetic acid methyl ester
methyl-2-[4-(4-chloro-butyryl-)phenyl]-2-methyl-propanoate
Methyl2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate
ULWORPZJUIFPIC-UHFFFAOYSA-N
AM20030050
SCHEMBL1502354
H11605
154477-54-0
2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid methyl ester
DTXSID20435032
FT-0655725
Methyl 2-(4-(4-chlorobutanoyl)-phenyl)-2-methylpropanoate
Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate
A1-15836
Methyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate
SB33870
MFCD09031254
2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, methyl ester
Benzeneacetic acid, 4-(4-chloro-1-oxobutyl)-Alpha,Alpha-dimethyl-, methyl ester
4-(4-Chloro-1-oxobutyl)-a,a-dimethylbenzeneacetic Acid Methyl Ester
Methyl 2-[4-(4-Chlorobutyryl)phenyl]-2-methylpropanoate
2-[4-(4-Chlorobutyryl)phenyl]-2-methylpropionic acid methyl ester
4-(4-Chloro-1-oxobutyl)-?,?-dimethylbenzeneacetic Acid Methyl Ester
methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate
4-(4-Chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetic Acid Methyl Ester
Methyl 4-(4-chloro-1-oxobutyl)-alfa,alfa-dimethylbenzene acetate

MDL Number

MFCD09031254

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 154477-54-0)?

Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate has a crystalline form with a molecular weight of approximately 332.22 g/mol. It is sparingly soluble in water but readily soluble in organic solvents such as methanol and acetone. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It reacts with strong acids and bases to form their respective salts.

How is Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 154477-54-0) typically synthesized?

Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate is synthesized through the condensation of 4-(4-chlorobutanoyl)phenol with methyl 2-methylpropanoate in the presence of a mild base like potassium carbonate. The reaction yields the desired compound in good yield with high selectivity. The process is often carried out in a solvent such as dimethylformamide (DMF) or dimethyl sulfoxide (DMSO).

What industries use Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 154477-54-0)?

Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate is used in the pharmaceutical industry for the synthesis of certain organic compounds and intermediates. It may also find applications in the polymer industry as a monomer or in the production of sensors and semiconductors due to its chemical properties.

What precautions should be taken when handling Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 154477-54-0)?

When handling Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to prevent inhalation. In case of a spill, it should be cleaned up carefully following the manufacturer's safety data sheet (SDS) guidelines. Ensure proper storage in a cool, dry place away from heat sources and incompatible materials.