1221819-51-7

Basic information

• Product Name: 3-(4-Chlorophenyl)-3-oxetaneacetic acid ethyl ester
• Synonyms: 3-(4-Chlorophenyl)-3-oxetaneacetic acid ethyl ester
• CAS NO: 1221819-51-7
• Molecular Formula: C₁₃H₁₅ClO₃
• Molecular Weight: 254.7094
• Mol File: 1221819-51-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 336℃
• Flash Point: 131℃
• Appearance: /
• Density: 1.209
• CAS DataBase Reference: 3-(4-Chlorophenyl)-3-oxetaneacetic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-Chlorophenyl)-3-oxetaneacetic acid ethyl ester(1221819-51-7)
• EPA Substance Registry System: 3-(4-Chlorophenyl)-3-oxetaneacetic acid ethyl ester(1221819-51-7)

Safety Data

• Hazardous Substances Data: 1221819-51-7(Hazardous Substances Data)

Usage

Usage

Commonly used in organic synthesis and pharmaceutical research

Structure

Ethyl ester derivative of 3-(4-chlorophenyl)-3-oxetaneacetic acid

Composition

Contains a chlorophenyl group and an oxetane ring in its structure

Applications

Potential in the development of new drugs
Synthesis of complex organic molecules
Building block in the preparation of various pharmaceutical intermediates

Significance

Valuable tool in medicinal chemistry and drug discovery due to its unique structure and chemical properties.

Upstream product

• 922500-91-2 ethyl 2-(oxetan-3-ylidene)acetate 
• 1679-18-1 4-Chlorophenylboronic acid 

Relevant articles and documents

Asymmetric Desymmetrization of Oxetanes for the Synthesis of Chiral Tetrahydrothiophenes and Tetrahydroselenophenes

Chiral tetrahydrothiophenes and tetrahydroselenophenes are highly useful structural units. Described here is a new catalytic asymmetric approach for their synthesis. With a suitable chiral Br?nsted acid catalyst, an oxetane desymmetrization by a well-positioned internal sulfur or selenium nucleophile proceeded efficiently to generate all-carbon quaternary stereocenters with excellent enantioselectivities. Taming the sulfur and selenium nucleophile in the form of a thioester and selenoester, respectively, is crucial to the success of this work. This approach also allows the facile synthesis of chiral tetrahydrothiopyrans. Mechanistic studies, including DFT calculations, suggested an intramolecular acyl-transfer pathway. Utilities of the chiral products are also demonstrated.