Methyl 2-methyl-2-[4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl]propanoate | CAS No. 1181267-30-0

Methyl 2-methyl-2-[4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl]propanoate

Basic Information

CAS Number

1181267-30-0

Molecular Formula

C20H24O5S

Molecular Weight

376.47 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (6.0E-3 g/L) (25 ºC),

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)C(C)(C)C(=O)OC

InChI

InChI=1S/C20H24O5S/c1-15-5-11-18(12-6-15)26(22,23)25-14-13-16-7-9-17(10-8-16)20(2,3)19(21)24-4/h5-12H,13-14H2,1-4H3

InChIKey

ILCKTEFFKTZBLQ-UHFFFAOYSA-N

LogP

3.393620000000002

Topological Polar Surface Area

69.67 Ų

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

547

Synonyms & References

English

  • Bilastine ITS-2
  • 2-methyl-2-{4-[2-(toluene-4-sulfonyloxy)-ethyl]-phenyl}-propionic acid methylester
  • Methyl 2-methyl-2-(4-(2-(tosyloxy)ethyl)phenyl)propanoate
  • methyl 2-methyl-2-[4-[2-(4-methylphenyl)sulfonyloxyethyl]phenyl]propanoate
  • alpha,alpha-Dimethyl-4-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]benzeneacetic acid methyl ester

MDL Number

MFCD30342444

FAQ

What are the physical and chemical properties of Methyl 2-methyl-2-[4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl]propanoate (CAS: 1181267-30-0)?

The compound is a crystalline solid with a molecular weight of approximately 414.47 g/mol. It has limited water solubility and is poorly soluble in common organic solvents. Chemically, it is relatively stable but can react with strong bases. Its reactivity is moderate, and it shows good selectivity in specific organic transformations.

How is Methyl 2-methyl-2-[4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl]propanoate (CAS: 1181267-30-0) typically synthesized?

The compound is typically synthesized through a multi-step process involving the coupling of a sulfonyl chloride with a substituted phenol. The reaction is catalyzed by a phase-transfer catalyst, and the product is isolated through column chromatography. The yield is moderate, around 70%, and the reaction is selective for the desired product.

What industries use Methyl 2-methyl-2-[4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl]propanoate (CAS: 1181267-30-0)?

This compound is primarily used in the pharmaceutical industry for its potential as a precursor in the synthesis of various drugs. It also has applications in the chemical industry, particularly in the development of functional materials such as sensors and semiconductors.

What precautions should be taken when handling Methyl 2-methyl-2-[4-(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)phenyl]propanoate (CAS: 1181267-30-0)?

When handling this compound, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to prevent inhalation. Spills should be promptly cleaned up with appropriate absorbents, and the SDS (Safety Data Sheet) should be consulted for detailed instructions. Ensure proper storage in a dry, cool place, away from incompatible materials.

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