Description

2(1H)-Isoquinolinecarboxylic Acid, 5,7-Dichloro-3,4-Dihydro-6-[[(Trifluoromethyl)Sulfonyl]Oxy]-, 1,1-Dimethylethyl Ester is a high-value, multi-functionalized isoquinoline derivative designed for advanced synthetic chemistry. This compound is engineered as a key synthetic intermediate, offering a unique triflate leaving group and a protected carboxylic acid moiety for selective downstream functionalization. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for constructing complex heterocyclic scaffolds and active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) disorders, oncology, and anti-infective agents.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging its halogenated and sulfonated structure for bioactivity.
• Material Science Precursor: Serves as a specialized monomer or precursor for advanced polymers and organic electronic materials due to its conjugated isoquinoline core.
• Cross-Coupling Reactions: The trifluoromethanesulfonyl (triflate) group acts as an excellent leaving group, making this ester a superior substrate for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille, Negishi).
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes and enzyme inhibitors for biochemical and pharmacological research.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for custom synthesis projects requiring high-purity, complex intermediates.

Basic Information

Product Name	2(1H)-Isoquinolinecarboxylic Acid, 5,7-Dichloro-3,4-Dihydro-6-[[(Trifluoromethyl)Sulfonyl]Oxy]-, 1,1-Dimethylethyl Ester
CAS No.	851784-78-6
Molecular Formula	C15H14Cl2F3NO5S
Molecular Weight	460.24 g/mol
Synonyms	tert-Butyl 5,7-dichloro-6-(((trifluoromethyl)sulfonyl)oxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate; 5,7-Dichloro-6-((trifluoromethyl)sulfonyloxy)-3,4-dihydro-2(1H)-isoquinolinecarboxylic Acid 1,1-Dimethylethyl Ester; 6-Trifluoromethanesulfonyloxy-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-2-carboxylic Acid tert-Butyl Ester; 851784-78-6; tert-Butyl 5,7-dichloro-6-(triflyloxy)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
EINECS	Contact for details

Quality Control

Every batch of 2(1H)-Isoquinolinecarboxylic Acid, 5,7-Dichloro-3,4-Dihydro-6-[[(Trifluoromethyl)Sulfonyl]Oxy]-, 1,1-Dimethylethyl Ester is manufactured under strict quality management systems. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure high purity and structural identity for research and development applications. Certificates of Analysis (COA) with detailed chromatographic data are provided with each shipment to guarantee traceability and compliance with your internal specifications.

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 (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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