Description

Benzenepropanoic Acid, 3-[(2R)-3-[[2-(2,3-Dihydro-1H-Inden-2-Yl)-1,1-Dimethylethyl]Amino]-2-Hydroxypropoxy]-4,5-Difluoro-, Ethyl Ester, Hydrochloride (1:1) is a high-purity, complex organic salt with a defined stereochemistry, primarily utilized as a critical pharmaceutical intermediate. Its value lies in its role as a key building block for the synthesis of advanced active pharmaceutical ingredients (APIs), where precise molecular structure is paramount for biological activity. This compound is essential for research and development organizations and manufacturers in the pharmaceutical and fine chemical sectors requiring reliable, high-quality intermediates for complex synthesis pathways.

Application

• Pharmaceutical Intermediate: A key precursor in the multi-step synthesis of novel therapeutic agents, particularly in central nervous system (CNS) or cardiovascular drug discovery programs.
• Active Pharmaceutical Ingredient (API) Synthesis: Serves as a crucial chiral building block for constructing complex API molecules with specific stereochemical requirements.
• Biochemical Research: Used in laboratory settings for pharmacological studies, target validation, and mechanism-of-action research due to its specific structural features.
• Process Chemistry Development: Employed in scaling up synthetic routes from laboratory to pilot plant and commercial manufacturing scales.
• Reference Standard: Can be supplied as a high-purity standard for analytical method development, quality control, and regulatory submissions.
• Fine Chemical Production: Utilized in the custom synthesis of specialty chemicals for advanced material science or agrochemical research.

Basic Information

Product Name	Benzenepropanoic Acid, 3-[(2R)-3-[[2-(2,3-Dihydro-1H-Inden-2-Yl)-1,1-Dimethylethyl]Amino]-2-Hydroxypropoxy]-4,5-Difluoro-, Ethyl Ester, Hydrochloride (1:1)
CAS No.	702686-97-3
Molecular Formula	C27H36F2NO4 • HCl
Molecular Weight	504.04 g/mol (free base: 467.57 g/mol)
Synonyms	(2R)-3-[[2-(2,3-Dihydro-1H-Inden-2-Yl)-1,1-Dimethylethyl]Amino]-2-Hydroxypropoxy]-4,5-Difluorobenzenepropanoic Acid Ethyl Ester Hydrochloride; Ethyl 3-[(2R)-3-[[2-(2,3-Dihydro-1H-Inden-2-Yl)-1,1-Dimethylethyl]Amino]-2-Hydroxypropoxy]-4,5-Difluorobenzenepropanoate Hydrochloride; 702686-97-3; UNII-9VXA7S1B6P; 9VXA7S1B6P; Benzenepropanoic acid, 4,5-difluoro-β-[3-[[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropoxy]-, ethyl ester, hydrochloride, (βR)-; (R)-Ethyl 4,5-difluoro-3-(3-((2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)benzenepropanoate hydrochloride
EINECS	Contact for details

Quality Control

Our production of this pharmaceutical intermediate adheres to strict quality management systems. Each batch is subjected to comprehensive analytical testing, including HPLC for purity and chiral purity, NMR, and MS for structural confirmation, to ensure it meets the exacting standards required for API synthesis. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting key parameters such as assay, enantiomeric excess, and impurity profiles. We support our clients' regulatory needs with full traceability and documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider storage under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Chiral Purity (HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Related Substances (HPLC)	Individual impurity ≤ 0.5%; Total impurities ≤ 1.5%

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