Description

1-(8-Bromo-3,4-Dihydroisoquinolin-2(1H)-Yl)-2,2,2-Trifluoroethanone CAS NO 726136-49-8 is a high-purity, advanced pharmaceutical intermediate characterized by its brominated isoquinoline core and trifluoroacetyl functional group. This compound is critical for medicinal chemistry research and development, serving as a versatile building block for the synthesis of novel bioactive molecules. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries seeking to introduce specific halogenated and fluorinated motifs into target compounds.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of potential drug candidates, particularly for central nervous system (CNS) targets, kinase inhibitors, and other therapeutic small molecules.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies to explore the impact of bromine and trifluoromethyl groups on potency, selectivity, and metabolic stability.
• Agrochemical Synthesis: Serves as a precursor in the development of new active ingredients for crop protection, leveraging the stability and lipophilicity conferred by its halogen and fluorine atoms.
• Chemical Biology Probes: Employed in the creation of labeled compounds or probes for studying biological pathways and target engagement.
• Process Chemistry & Scale-Up: Used in route scouting and optimization for the commercial-scale production of complex active pharmaceutical ingredients (APIs).
• Academic Research: Utilized in university and institutional labs for fundamental studies in heterocyclic and organofluorine chemistry.

Basic Information

Product Name	1-(8-Bromo-3,4-Dihydroisoquinolin-2(1H)-Yl)-2,2,2-Trifluoroethanone
CAS No.	726136-49-8
Molecular Formula	C₁₁H₈BrF₃NO
Molecular Weight	306.09 g/mol
Synonyms	2,2,2-Trifluoro-1-(8-bromo-1,2,3,4-tetrahydroisoquinolin-2-yl)ethanone; 8-Bromo-2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline; 1-(8-Bromo-3,4-dihydro-2H-isoquinolin-1-yl)-2,2,2-trifluoroethanone; 8-Bromo-N-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline; 726136-49-8; 8-Bromo-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline
EINECS	Contact for details

Quality Control

Our production of 1-(8-Bromo-3,4-Dihydroisoquinolin-2(1H)-Yl)-2,2,2-Trifluoroethanone adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support development under cGMP guidelines and can supply material suitable for use in regulatory filings.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). The compound is light-sensitive (store away from light) and may be incompatible with fluoride/strong alkali. Keep the container tightly sealed to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Related Substances (HPLC)	Individual impurity ≤ 0.5%, Total impurities ≤ 2.0%
Residual Solvents (GC)	Meets ICH Q3C guidelines
Water Content (KF)	≤ 0.5%
Heavy Metals	≤ 20 ppm

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