Description

4-(3-Hydroxy-3-Methylbut-1-Ynyl)Benzoic Acid Methyl Ester is a versatile organic building block characterized by its terminal alkyne and ester functionalities. This compound matters as a key synthetic intermediate, enabling the construction of complex molecular architectures through reactions like Sonogashira coupling and ester hydrolysis. It is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the synthesis of potential drug candidates, particularly those requiring a substituted benzoate core.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and plant growth regulators.
• Material Science Research: Acts as a monomer or cross-linking agent in the development of specialty polymers and advanced organic materials.
• Chemical Biology Probes: Utilized in the creation of molecular probes and tags due to its reactive alkyne group for bio-conjugation via click chemistry.
• Academic & Industrial R&D: Employed in organic synthesis laboratories for methodological studies and the exploration of new catalytic transformations.
• Liquid Crystal & OLED Materials: Investigated as a building block for electronic materials requiring specific aromatic and rigid structures.

Basic Information

Product Name	4-(3-Hydroxy-3-Methylbut-1-Ynyl)Benzoic Acid Methyl Ester
CAS No.	33577-98-9
Molecular Formula	C13H14O3
Molecular Weight	218.25 g/mol
Synonyms	Methyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate; Benzoic acid, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, methyl ester; 4-(3-Hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester; Methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate; 4-(3-Hydroxy-3-methyl-1-butynyl)benzoic acid methyl ester
EINECS	Contact for details

Quality Control

Our 4-(3-Hydroxy-3-Methylbut-1-Ynyl)Benzoic Acid Methyl Ester is manufactured under a strict quality management system. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to exclude moisture. Keep away from heat, sparks, and open flame.

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	≤ 1.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%

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