Description

Bicyclo[1.1.1]Pentane, 1-Methyl-3-(Phenylsulfonyl)- (9Ci) is a high-value, synthetically challenging organic building block featuring the unique and highly strained bicyclo[1.1.1]pentane (BCP) core. This compound matters as a key intermediate for medicinal chemistry and materials science, enabling the precise introduction of a rigid, three-dimensional bioisostere to modulate the properties of target molecules. Pharmaceutical researchers and advanced material developers need it to create novel drug candidates with improved metabolic stability and to engineer polymers with tailored physical characteristics.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for replacing aromatic rings or tert-butyl groups to improve drug-like properties.
• Medicinal Chemistry Research: Used extensively in hit-to-lead and lead optimization campaigns to explore structure-activity relationships (SAR) by incorporating a rigid, sp3-rich bioisostere.
• Advanced Materials Synthesis: A precursor for developing specialty polymers, liquid crystals, and organic electronic materials that benefit from the unique steric and electronic properties of the BCP scaffold.
• Agrochemical Development: Employed in the research and synthesis of next-generation herbicides and pesticides where enhanced stability and bioavailability are required.
• Cross-Coupling Reactions: Functions as a specialized substrate in Pd-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) to create complex, three-dimensional molecular architectures.
• Chemical Biology Probes: Utilized in the design and synthesis of chemical probes and tags for studying biological systems and protein-ligand interactions.

Basic Information

Product Name	Bicyclo[1.1.1]Pentane, 1-Methyl-3-(Phenylsulfonyl)- (9Ci)
CAS No.	796963-38-7
Molecular Formula	C12H14O2S
Molecular Weight	222.30 g/mol
Synonyms	1-Methyl-3-(phenylsulfonyl)bicyclo[1.1.1]pentane; 3-Methyl-1-(phenylsulfonyl)bicyclo[1.1.1]pentane; 1-Methyl-3-(benzenesulfonyl)bicyclo[1.1.1]pentane; BCP-Sulfone Derivative; (Phenylsulfonyl)methylbicyclo[1.1.1]pentane; 796963-38-7; Bicyclo[1.1.1]pentane, 1-methyl-3-(phenylsulfonyl)-
EINECS	Contact for details

Quality Control

Our Bicyclo[1.1.1]Pentane, 1-Methyl-3-(Phenylsulfonyl)- (9Ci) is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and structural integrity. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment to support your R&D and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep the container sealed to protect this moisture-sensitive material from humidity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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