Description

tert-Butyl 6-(Trifluoromethylsulfonyloxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate is a high-value, protected intermediate featuring a reactive triflate leaving group. This compound is critical for enabling efficient cross-coupling reactions and nucleophilic substitutions in complex molecule synthesis. It is primarily utilized by pharmaceutical and agrochemical R&D teams for the construction of advanced heterocyclic scaffolds and active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel isoquinoline-based drug candidates, including potential kinase inhibitors and central nervous system (CNS) agents.
• Agrochemical Synthesis: Used in the research and development of new herbicides and fungicides that incorporate the dihydroisoquinoline moiety.
• Cross-Coupling Reactions: The triflate group makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Stille, and Negishi couplings to introduce complex aryl and heteroaryl groups.
• Nucleophilic Substitution: Serves as an electrophile in reactions with various nucleophiles (amines, alkoxides, thiols) for functional group diversification.
• Chemical Biology Probes: Employed in the creation of tagged or modified chemical probes for target identification and validation studies.
• Material Science Research: Potential precursor for the synthesis of organic semiconductors or ligands for catalytic systems.

Basic Information

Item	Detail
Product Name	tert-Butyl 6-(Trifluoromethylsulfonyloxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS No.	158984-84-0
Molecular Formula	C₁₅H₁₆F₃NO₅S
Molecular Weight	379.35 g/mol
Synonyms	Boc-6-triflyloxy-1,2,3,4-tetrahydroisoquinoline; tert-Butyl 6-(((trifluoromethyl)sulfonyl)oxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate; 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydro-6-isoquinolinyl trifluoromethanesulfonate; 6-Trifluoromethanesulfonyloxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester; Boc-THIQ-6-OTf; N-Boc-6-triflyloxy-THIQ
EINECS	Contact for details

Quality Control

Every batch of tert-Butyl 6-(Trifluoromethylsulfonyloxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate is manufactured under strict quality management systems. We provide comprehensive analytical data to ensure the material meets the high-purity standards required for sensitive synthetic applications. A detailed Certificate of Analysis (COA) confirming identity, purity (typically ≥95% by HPLC), and impurity profile is supplied with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C or as indicated on the label. This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term stability and to prevent decomposition.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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