Description

Butanoic Acid, 4-Bromo-2-Cyano-3-Oxo-, Methyl Ester (9Ci) is a specialized brominated cyano ketoester building block, identified by CAS number 65689-57-8. This compound is valued for its unique molecular architecture, which provides multiple reactive sites for constructing complex heterocyclic and pharmaceutical intermediates. It is primarily sought by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced material synthesis sectors for use in multi-step synthetic routes.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules containing fused heterocyclic systems.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging its reactive bromo and cyano groups.
• Organic Synthesis Building Block: Serves as a versatile electrophile and Michael acceptor in complex organic transformations, including cyclization and cross-coupling reactions.
• Material Science Research: Investigated as a monomer or functional additive in the development of specialty polymers and advanced organic electronic materials.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying enzyme mechanisms and biological pathways.

Basic Information

Product Name	Butanoic Acid, 4-Bromo-2-Cyano-3-Oxo-, Methyl Ester (9Ci)
CAS No.	65689-57-8
Molecular Formula	C7H6BrNO3
Molecular Weight	232.03 g/mol
Synonyms	Methyl 4-Bromo-2-cyano-3-oxobutanoate; 4-Bromo-2-cyano-3-oxobutanoic Acid Methyl Ester; 2-Cyano-4-bromo-3-oxobutanoic Acid Methyl Ester; Methyl 4-Bromo-2-cyanoacetoacetate; Butanoic acid, 4-bromo-2-cyano-3-oxo-, methyl ester; 65689-57-8; Bromocyano ketoester
EINECS	Contact for details

Quality Control

Our Butanoic Acid, 4-Bromo-2-Cyano-3-Oxo-, Methyl Ester (9Ci) is manufactured under strict quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. We provide comprehensive Certificates of Analysis (COA) with each batch, detailing key parameters such as assay, identity, and impurity profiles. Our quality system is designed to support cGMP and ISO standards for traceability and reliability.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong acids, bases, and oxidizing agents. Due to its light-sensitive nature, containers should be amber-colored or stored in light-resistant packaging.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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