Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate | CAS No. 76811-97-7

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

Basic Information

CAS Number

76811-97-7

Molecular Formula

C16H21ClO3

Molecular Weight

296.79 g/mol

AD

Basic Physical Properties

Boiling Point

409.8°C at 760 mmHg

Density

1.105

Flash Point

150.7°C

Refractive Index

1.506

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

InChI

InChI=1S/C16H21ClO3/c1-4-20-15(19)16(2,3)13-9-7-12(8-10-13)14(18)6-5-11-17/h7-10H,4-6,11H2,1-3H3

InChIKey

NQQITLVKOMJPDY-UHFFFAOYSA-N

LogP

3.7290000000000028

Topological Polar Surface Area

43.370000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

331

Synonyms & References

English

  • 2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, ethyl ester
  • SCHEMBL4581793
  • FT-0641614
  • 76811-97-7
  • ethyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylphenylacetate
  • NQQITLVKOMJPDY-UHFFFAOYSA-N
  • ethyl 4-(4-chloro-1-oxobutyl)-alpha, alpha-dimethylphenylacetate
  • ethyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate
  • DTXSID101202709
  • A,
  • A-DIMETHYLBENZENEACETATE
  • Ethyl4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate
  • ETHYL 4-(4-CHLORO-1-OXOBUTYL)-
  • Ethyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate
  • 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-proprionic acid, ethyl ester
  • ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate
  • 4-(4-Chloro-1-oxobutyl)-alpha,alpha-dimethyl-benzeneacetic acid ethyl ester
  • Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate
  • 2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid
  • 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic acid,ethyl ester
  • Benzeneacetic acid,4-(4-chloro-1-oxobutyl)-a,a-diMethyl-,ethyl ester
  • ETHYL,4-(4-CHLORO-1-OXOBUTYL)-A,A-DIMETHYLBENZENE ACETATE

Customs Code

2918300090

FAQ

What is Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 76811-97-7)?

Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate is a complex organic compound with a molecular structure that includes an ethyl group, a substituted phenyl group, and a 2-methylpropanoate moiety. It has a distinctive chemical formula and is characterized by its solubility and stability in organic solvents.

What are the main uses of Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 76811-97-7)?

Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the research and development of new chemical entities, as well as in the formulation of certain specialty chemicals.

Is Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 76811-97-7) safe?

Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate should be handled with care due to its chemical nature. It is important to follow all safety guidelines, including the use of appropriate personal protective equipment (PPE) such as gloves and goggles. Storage and disposal should be conducted in accordance with local regulations.

How should Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate (CAS: 76811-97-7) be stored?

Ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent moisture absorption. Proper ventilation is essential to ensure safe storage conditions.

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