Description

Methyl 2-Bromo-2-(4'-Cyanophenyl)Acetate CAS NO 885953-33-3 is a high-purity, specialized organic building block featuring both a reactive bromoacetate ester and a cyano functional group. This compound is valued for its versatility as a key intermediate in advanced organic synthesis, enabling the construction of complex molecular architectures. It is primarily sought by research and development chemists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and material science.

Application

• Pharmaceutical Intermediate: A crucial building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of molecules with aryl-acetic acid or cyano-biphenyl scaffolds.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and plant growth regulators, leveraging its reactive halogen and nitrile groups.
• Material Science Research: Serves as a monomer or precursor for functional polymers, liquid crystals, and organic electronic materials due to its aromatic and polar cyano group.
• Chemical Biology Probes: Employed in the design and synthesis of molecular probes and inhibitors for studying enzyme mechanisms and biological pathways.
• Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) for creating biaryl structures, a common motif in many functional compounds.
• Nucleophilic Substitution: The bromine atom is an excellent leaving group, making this ester a valuable electrophile for reactions with various nucleophiles to form new carbon-carbon or carbon-heteroatom bonds.

Basic Information

Product Name	Methyl 2-Bromo-2-(4'-Cyanophenyl)Acetate
CAS No.	885953-33-3
Molecular Formula	C10H8BrNO2
Molecular Weight	254.08 g/mol
Synonyms	Methyl α-bromo-4-cyanobenzeneacetate; 2-Bromo-2-(4-cyanophenyl)acetic acid methyl ester; Methyl (4-cyanophenyl)bromoacetate; α-Bromo-4-cyanobenzeneacetic acid methyl ester; 4-Cyanophenylbromoacetic acid methyl ester; Methyl 2-bromo-2-(4-cyanophenyl)acetate; (4-Cyanophenyl)bromoacetic acid methyl ester
EINECS	Contact for details

Quality Control

Our Methyl 2-Bromo-2-(4'-Cyanophenyl)Acetate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with each shipment to support your quality assurance and regulatory needs.

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 away from heat, sparks, and open flames. This material is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Heavy Metals	< 10 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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