Description

tert-Butyl 2-(Methylthio)-4-(((Trifluoromethyl)Sulfonyl)Oxy)-5,8-Dihydropyrido[3,4-D]Pyrimidine-7(6H)-Carboxylate is a high-value, advanced pharmaceutical intermediate featuring a reactive trifluoromethanesulfonate (triflate) ester group. This compound is critical for enabling efficient cross-coupling reactions, particularly in the synthesis of complex, nitrogen-containing heterocycles prevalent in modern drug discovery. It is primarily utilized by medicinal chemists and process development scientists in the pharmaceutical and biotechnology industries to construct novel active pharmaceutical ingredients (APIs) targeting a range of therapeutic areas.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of dihydropyridopyrimidine-based drug candidates, a privileged scaffold in medicinal chemistry.
• Suzuki-Miyaura Cross-Coupling: The triflate group serves as an excellent leaving group for palladium-catalyzed coupling with aryl/heteroaryl boronic acids, enabling rapid diversification of the core structure.
• Buchwald-Hartwig Amination: Used in palladium-catalyzed C-N bond formation reactions to introduce amine functionalities at the 4-position of the pyrimidine ring.
• Negishi and Stille Couplings: Applicable in other transition-metal-catalyzed cross-coupling reactions for carbon-carbon bond formation.
• Kinase Inhibitor Development: Core structure relevant for the research and development of protein kinase inhibitors for oncology and inflammatory diseases.
• Chemical Biology Probes: Used to create tagged or modified molecular probes for studying biological pathways and target engagement.
• Process Chemistry & Scale-Up: Sourced for route scouting and optimization during the late-stage development and commercial manufacturing of APIs.

Basic Information

Product Name	tert-Butyl 2-(Methylthio)-4-(((Trifluoromethyl)Sulfonyl)Oxy)-5,8-Dihydropyrido[3,4-D]Pyrimidine-7(6H)-Carboxylate
CAS No.	338739-82-5
Molecular Formula	C15H18F3N3O5S2
Molecular Weight	441.44 g/mol
Synonyms	7-(tert-Butoxycarbonyl)-2-(methylthio)-4-(((trifluoromethyl)sulfonyl)oxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine; 2-(Methylthio)-4-trifluoromethanesulfonyloxy-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester; tert-Butyl 2-methylsulfanyl-4-(trifluoromethylsulfonyloxy)-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylate; 4-Triflyloxy-2-methylthio-5,8-dihydropyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester; Boc-Protected 2-(Methylthio)-4-triflate Dihydropyridopyrimidine; CAS 338739-82-5
EINECS	Contact for details

Quality Control

This high-purity intermediate is manufactured under controlled GMP-like conditions to ensure batch-to-batch consistency and reliability for sensitive synthetic applications. Every lot is subjected to rigorous analytical characterization, including HPLC for purity and identity confirmation (typically ≥95% to ≥98%). A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to support your regulatory and quality documentation needs.

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 material is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when opening to prevent degradation. Keep container tightly sealed when not in use.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms
Identification (MS)	Conforms
Purity (HPLC)	≥ 95.0%
Assay	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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