Description

4-(3-Methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione is a high-purity, complex heterocyclic organic compound featuring a fused tricyclic structure with a pyrimidine-2-thione core. This compound matters as a sophisticated chemical intermediate and a valuable scaffold in advanced research, enabling the synthesis of novel molecules with targeted biological or material properties. It is primarily needed by pharmaceutical R&D laboratories, agrochemical innovators, and specialty chemical manufacturers focused on developing new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the research and synthesis of novel drug candidates, particularly for central nervous system (CNS) or anti-inflammatory targets.
• Agrochemical Research: Used as a precursor in developing new pesticides or herbicides, leveraging its complex heterocyclic structure for bioactivity.
• Chemical Biology Probe: Acts as a core scaffold for creating tool compounds to study enzyme function or protein-protein interactions in biological systems.
• Material Science Research: Investigated as a monomer or precursor for specialty polymers, ligands for catalysis, or organic electronic materials due to its conjugated system.
• Academic & Contract Research: Supplied to universities and CROs (Contract Research Organizations) for fundamental organic chemistry research and method development.
• Custom Synthesis Starting Point: Provided to fine chemical companies for further functionalization and scale-up under custom synthesis agreements.

Basic Information

Product Name	4-(3-Methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione
CAS No.	112547-65-6
Molecular Formula	C20H20N2OS
Molecular Weight	336.45 g/mol
Synonyms	4-(3-Methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-cyclohepta[1,2-d:4,5-d']dipyrimidine-2-thione; 2-Thioxo-4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine; Benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione, 4-(3-methoxyphenyl)-1,3,4,5,6,7-hexahydro-; 112547-65-6; 4-(3-Methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-cyclohepta[1,2-d]pyrimidine-2-thione
EINECS	Contact for details

Quality Control

Our 4-(3-Methoxyphenyl)-1,3,4,5,6,7-hexahydro-2H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2-thione is produced under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via NMR and mass spectrometry, to ensure it meets exacting research-grade specifications. A detailed Certificate of Analysis (COA) is provided with each shipment, guaranteeing traceability, consistency, and reliability for your critical R&D and scale-up projects.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider storing under an inert atmosphere to maximize stability.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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