Description

Ethyl 2-((4-Oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate is a high-value, heterocyclic organic compound featuring a fused thienopyrimidine core, serving as a critical synthetic intermediate in advanced pharmaceutical research and development. Its unique molecular architecture makes it a versatile building block for constructing complex molecules with potential biological activity. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries for the synthesis of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, oncology, and inflammatory diseases.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging its heterocyclic structure for bioactivity.
• Material Science: Serves as a building block for organic electronic materials, such as semiconductors or charge-transport layers, due to its π-conjugated system.
• Chemical Biology Probe Development: Utilized to create molecular probes for studying enzyme function and biological pathways.
• Academic & Contract Research: Essential for medicinal chemistry programs in universities and contract research organizations (CROs) for structure-activity relationship (SAR) studies.
• Fine Chemical Synthesis: Employed in custom synthesis and scale-up projects for producing specialized, high-value chemicals.

Basic Information

Product Name	Ethyl 2-((4-Oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
CAS No.	54968-59-1
Molecular Formula	C₁₅H₁₆N₂O₃S₂
Molecular Weight	336.43 g/mol
Synonyms	Ethyl [(4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate; 2-(((4-Oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid ethyl ester; Ethyl 2-((4-oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate; Thienopyrimidine derivative, CAS 54968-59-1; 54968-59-1; Ethyl 2-((4-oxo-3,4-dihydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate (related structure).
EINECS	Contact for details

Quality Control

Our Ethyl 2-((4-Oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and residual solvent analysis, to ensure it meets the high standards required for research and development. A detailed Certificate of Analysis (COA) is provided with each shipment, guaranteeing traceability, batch-to-batch consistency, and compliance with your 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 (typically 15-25°C). Keep away from incompatible materials. For long-term storage, consider inert atmosphere conditions to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 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.