Description

Benzonitrile, 4-[(1R)-2,2-Difluoro-1-Hydroxy-3-Butenyl]- (9Ci) is a chiral, fluorinated benzonitrile derivative that serves as a sophisticated pharmaceutical intermediate and building block for advanced organic synthesis. Its unique structure, featuring both a difluorinated hydroxybutenyl side chain and a nitrile group, makes it a valuable precursor for constructing complex molecules with specific stereochemistry and enhanced metabolic stability. This compound is primarily needed by pharmaceutical R&D and fine chemical manufacturers focused on developing new active ingredients, particularly in therapeutic areas where fluorine substitution is beneficial.

Application

• Pharmaceutical Intermediate: Key chiral building block in the synthesis of novel active pharmaceutical ingredients (APIs), especially for antiviral, anticancer, or central nervous system (CNS) targeted therapies.
• Fluorine Chemistry Research: A valuable substrate for studying the effects of difluoromethylene groups and chiral centers on biological activity and physicochemical properties in drug discovery.
• Agrochemical Synthesis: Intermediate for developing advanced, high-performance crop protection agents that leverage fluorine's ability to improve lipophilicity and membrane permeability.
• Liquid Crystal & Advanced Material Precursor: Used in the research and production of specialty materials where the benzonitrile core and fluorinated chain contribute to desired electronic or mesomorphic properties.
• Asymmetric Synthesis Catalyst/ Ligand Development: The chiral diol moiety can be utilized to develop or modify ligands for asymmetric catalysis.

Basic Information

Product Name	Benzonitrile, 4-[(1R)-2,2-Difluoro-1-Hydroxy-3-Butenyl]- (9Ci)
CAS No.	505068-89-3
Molecular Formula	C11H9F2NO
Molecular Weight	209.19 g/mol
Synonyms	4-[(1R)-2,2-Difluoro-1-hydroxy-3-buten-1-yl]benzonitrile; (R)-4-(2,2-Difluoro-1-hydroxybut-3-en-1-yl)benzonitrile; (1R)-4-(2,2-Difluoro-1-hydroxy-3-butenyl)benzonitrile; 4-[(1R)-2,2-Difluoro-1-hydroxybut-3-en-1-yl]benzonitrile; Benzonitrile, 4-[(1R)-2,2-difluoro-1-hydroxy-3-butenyl]-; SCHEMBL23883027; AKOS040759246
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality protocols to ensure batch-to-batch consistency and high chemical purity, critical for sensitive pharmaceutical applications. All material is accompanied by a comprehensive Certificate of Analysis (COA) detailing identity, purity (HPLC/Chiral HPLC), and impurity profiles. We operate under a cGMP-compliant quality management system for relevant grades, ensuring traceability and documentation suitable for regulated R&D and pre-clinical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Recommended storage temperature is between 2°C and 8°C for long-term stability, especially for high-purity grades. The container should be kept tightly sealed in a dry environment to minimize exposure to moisture. Keep away from incompatible materials such as strong bases and fluorides.

Specification

Item	Specification
Appearance	White to off-white solid or crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee (Enantiomeric Excess)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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