Description

Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-5'-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester is a sophisticated spirocyclic heterocyclic building block designed for advanced pharmaceutical and agrochemical research. Its complex molecular architecture, featuring a tert-butyl ester and a reactive trifluoromethanesulfonyl (triflate) group, makes it a highly versatile intermediate for constructing novel bioactive compounds. This product is essential for medicinal chemists and R&D teams focused on developing new drug candidates, particularly in oncology and CNS therapeutic areas, where such privileged scaffolds are in high demand.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel small-molecule drug candidates targeting protein kinases and other enzymes.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization programs due to its spirocyclic core and derivatizable handles.
• Agrochemical Development: Serves as a precursor for creating new active ingredients with potential herbicidal or insecticidal properties.
• Chemical Biology Probes: Utilized in the development of chemical probes to study biological pathways and target validation.
• Cross-Coupling Reactions: The triflate group acts as an excellent leaving group for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) to introduce complex aryl/heteroaryl groups.
• Custom Synthesis: A critical starting material for contract research and manufacturing organizations (CROs/CMOs) offering bespoke chemical synthesis services.

Basic Information

Item	Information
Product Name	Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'(8'H)-carboxylic acid, 2'-(methylthio)-6'-oxo-5'-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
CAS No.	2170746-98-0
Molecular Formula	C22H23F3N4O6S2
Molecular Weight	560.57 g/mol
Synonyms	tert-Butyl 2'-(methylthio)-6'-oxo-5'-(((trifluoromethyl)sulfonyl)oxy)-6'H-spiro[cyclohexane-1,9'-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidine]-7'-carboxylate; 5'-Trifluoromethanesulfonyloxy Spirocyclic Ester; Spirocyclic Pyrazinopyrrolopyrimidine Triflate Ester; 1,1-Dimethylethyl 2'-(Methylthio)-6'-Oxo-5'-[[(Trifluoromethyl)Sulfonyl]Oxy]-Spiro[Cyclohexane-1,9'(6'H)-Pyrazino[1',2':1,5]Pyrrolo[2,3-d]Pyrimidine]-7'(8'H)-Carboxylate
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality protocols to ensure batch-to-batch consistency and purity suitable for research and development. Each lot is characterized using advanced analytical techniques including HPLC, NMR, and LC-MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profile is provided with every 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 a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when opening the primary container to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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