Description

Methyl3-Bromo-5-(3,3-Dimethylbut-1-Yn-1-Yl)Thiophene-2-Carboxylate is a high-value, multi-functional heterocyclic building block designed for advanced organic synthesis. This compound is critical for researchers and process chemists developing novel active pharmaceutical ingredients (APIs) and functional materials, offering a unique combination of a brominated thiophene core and a sterically hindered alkyne moiety. Its primary utility lies in enabling precise molecular construction via cross-coupling reactions and cycloadditions, making it indispensable for pharmaceutical R&D, agrochemical discovery, and materials science applications.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of complex drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammation, and oncology.
• Agrochemical Synthesis: Used to construct novel active ingredients for crop protection products, leveraging the thiophene scaffold for enhanced bioactivity.
• Material Science Research: Serves as a monomer or building block for developing conjugated polymers and organic semiconductors for electronic devices.
• Cross-Coupling Reactions: The bromine atom is an excellent handle for Suzuki, Stille, and Negishi couplings to introduce the thiophene unit into larger molecular architectures.
• Click Chemistry: The 3,3-dimethylbut-1-yn-1-yl group is amenable to copper-catalyzed azide-alkyne cycloaddition (CuAAC) for bioconjugation and polymer functionalization.
• Ligand and Catalyst Development: Employed in the creation of novel ligands for transition metal catalysis.

Basic Information

Product Name	Methyl3-Bromo-5-(3,3-Dimethylbut-1-Yn-1-Yl)Thiophene-2-Carboxylate
CAS No.	1355039-59-6
Molecular Formula	C12H13BrO2S
Molecular Weight	301.20 g/mol
Synonyms	Methyl 3-Bromo-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylate; 2-Thiophenecarboxylic acid, 3-bromo-5-(3,3-dimethyl-1-butyn-1-yl)-, methyl ester; 3-Bromo-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid methyl ester; Methyl 3-bromo-5-(neohex-1-yn-1-yl)thiophene-2-carboxylate; 1355039-59-6; Methyl 3-bromo-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate
EINECS	Contact for details

Quality Control

Our production of Methyl3-Bromo-5-(3,3-Dimethylbut-1-Yn-1-Yl)Thiophene-2-Carboxylate adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity for research and scale-up. All materials are characterized by advanced analytical techniques including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment, supporting compliance with cGMP and ICH guidelines for pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong bases and incompatible organic solvents. For long-term storage, consider inert atmosphere conditions to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH Q3C

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