Description

2-Oxetanone,4-(1,1-Dimethylethyl)-3-Fluoro-3-Methyl-,cis-(9Ci) is a high-value, fluorinated β-lactone derivative with a sterically hindered tert-butyl group, serving as a critical chiral building block in advanced organic synthesis. Its unique cis-configuration and fluorine substituent make it an essential precursor for constructing complex molecules with precise stereochemistry and enhanced metabolic stability. This compound is primarily sought by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients, including protease inhibitors and other biologically active compounds.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the development of novel active pharmaceutical ingredients (APIs), particularly protease inhibitors and other enzyme-targeted therapies.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the fluorine atom and specific stereochemistry can improve efficacy and environmental profile.
• Advanced Material Precursor: Serves as a monomer or building block for specialized polymers and functional materials requiring specific chemical resistance or optical properties.
• Asymmetric Catalysis Research: Employed as a test substrate or ligand precursor in the development of new asymmetric catalytic reactions due to its defined stereogenic centers.
• Chemical Biology Probes: Utilized in the synthesis of molecular probes for studying enzyme mechanisms and protein-ligand interactions.
• Custom Synthesis & Contract Manufacturing: A critical component for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences sector.

Basic Information

Product Name	2-Oxetanone,4-(1,1-Dimethylethyl)-3-Fluoro-3-Methyl-,cis-(9Ci)
CAS No.	173163-29-6
Molecular Formula	C8H13FO2
Molecular Weight	160.18 g/mol
Synonyms	cis-4-tert-Butyl-3-fluoro-3-methyl-2-oxetanone; 3-Fluoro-3-methyl-4-(tert-butyl)oxetan-2-one, cis-; 4-(tert-Butyl)-3-fluoro-3-methyloxetan-2-one; β-Fluorobeta-methyl-β-lactone with tert-butyl; Fluorinated β-lactone derivative; Chiral fluorinated oxetanone; (3R,4S)- or (3S,4R)-4-(tert-Butyl)-3-fluoro-3-methyloxetan-2-one (stereoisomer specific)
EINECS	Contact for details

Quality Control

Every batch of 2-Oxetanone,4-(1,1-Dimethylethyl)-3-Fluoro-3-Methyl-,cis-(9Ci) is produced and analyzed under strict quality management systems. We guarantee high chemical and isomeric purity, with comprehensive testing including chiral HPLC to confirm stereochemical integrity. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with each shipment to ensure compliance with your research and development protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent hydrolysis of the β-lactone ring.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% de (diastereomeric excess)
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.