Description

Pyrrolo[3,2-F][1,3]Benzoxazine-9-Carboxylic Acid, 5-Bromo-1,2,3,7-Tetrahydro-2,7-Dimethyl-8-[(Phenylthio)Methyl]-, Ethyl Ester is a high-value, complex heterocyclic building block designed for advanced synthetic chemistry. This compound is critical for research and development in medicinal chemistry, serving as a key precursor for novel pharmacologically active molecules. It is primarily sought after by pharmaceutical R&D laboratories and fine chemical manufacturers engaged in the synthesis of new chemical entities (NCEs) and active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: A crucial building block in the multi-step synthesis of novel drug candidates, particularly in oncology and central nervous system (CNS) therapeutic areas.
• Medicinal Chemistry Research: Used for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Chemical Biology Probe Development: Serves as a scaffold for creating molecular probes to study biological pathways and protein functions.
• Custom Synthesis & Contract Manufacturing: Employed by CDMOs (Contract Development and Manufacturing Organizations) for the production of complex, non-commercial target molecules for clients.
• Academic Research: Utilized in university and institutional labs for developing new synthetic methodologies and exploring novel heterocyclic chemistry.

Basic Information

Product Name	Pyrrolo[3,2-F][1,3]Benzoxazine-9-Carboxylic Acid, 5-Bromo-1,2,3,7-Tetrahydro-2,7-Dimethyl-8-[(Phenylthio)Methyl]-, Ethyl Ester
CAS No.	958450-23-2
Molecular Formula	C23H24BrNO3S
Molecular Weight	474.41 g/mol
Synonyms	Ethyl 5-Bromo-1,2,3,7-tetrahydro-2,7-dimethyl-8-[(phenylthio)methyl]pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate; 5-Bromo-8-[(phenylthio)methyl]-2,7-dimethyl-1,2,3,7-tetrahydro-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylic acid ethyl ester; Pyrrolobenzoxazine derivative (958450-23-2); 958450-23-2; SCHEMBL21840427; ZINC000095049991
EINECS	Contact for details

Quality Control

Our high-purity chemical building blocks are produced under strict quality management systems. Each batch of this advanced intermediate undergoes comprehensive analytical characterization, including HPLC for purity and NMR/LC-MS for structural confirmation, to ensure identity and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment and are available upon request.

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). This compound is likely light-sensitive and should be handled under an inert atmosphere for long-term stability. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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