Description

Benzeneacetic Acid, 4-Ethynyl--α--(1-Methylethyl)- (9Ci) is a specialized organic compound featuring a benzeneacetic acid core substituted with an ethynyl group and an isopropyl moiety, making it a valuable synthetic intermediate. This compound matters for its role in constructing complex molecular architectures, particularly in advanced pharmaceutical and agrochemical research where precise structural control is paramount. It is needed by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and material science industries seeking to develop new active ingredients or functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders or inflammatory pathways.
• Agrochemical Research: Used in the development of new-generation herbicides or plant growth regulators, leveraging its unique aromatic and alkyne functionality.
• Material Science Precursor: Acts as a monomer or cross-linking agent in the research of specialty polymers, resins, or advanced organic electronic materials.
• Ligand Synthesis: Employed in the preparation of sophisticated ligands for catalysis, useful in asymmetric synthesis and transition metal catalysis.
• Chemical Biology Probe Development: Utilized to create tagged molecules or activity-based probes for studying enzyme function and biological pathways.
• Academic & Contract Research: A critical reagent for methodological development and exploratory organic synthesis in university and CRO (Contract Research Organization) laboratories.

Basic Information

Product Name	Benzeneacetic Acid, 4-Ethynyl--α--(1-Methylethyl)- (9Ci)
CAS No.	86579-74-0
Molecular Formula	C13H14O2
Molecular Weight	202.25 g/mol
Synonyms	4-Ethynyl-α-(1-methylethyl)benzeneacetic acid; 2-(4-Ethynylphenyl)-3-methylbutanoic acid; α-Isopropyl-4-ethynylphenylacetic acid; 2-(4-Ethynylphenyl)-3-methylbutyric acid; (4-Ethynylphenyl)(isopropyl)acetic acid; Benzeneacetic acid, 4-ethynyl-α-(1-methylethyl)-; (RS)-2-(4-Ethynylphenyl)-3-methylbutanoic acid
EINECS	Contact for details

Quality Control

Our Benzeneacetic Acid, 4-Ethynyl--α--(1-Methylethyl)- (9Ci) is produced under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, documenting all critical quality parameters. For custom synthesis or specific purity requirements (e.g., >98%, >99%), please contact our technical sales team to discuss your project specifications.

Storage

Preserve in a tightly closed container, protected from light. Due to its hygroscopic (moisture-sensitive) nature, store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry place. Recommended long-term storage temperature is 2-8°C. Allow the container to reach room temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%

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