6-Bromopyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione
[CAS# 1201784-90-8]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Triazines
• Name: 6-Bromopyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione
• Molecular Formula: C₆H₄BrN₃O₂
• Molecular Weight: 230.02
• CAS Registry Number: 1201784-90-8
• EC Number: 967-954-6
• SMILES: C1=C2C(=O)NC(=O)NN2C=C1Br

Properties

• Density: 2.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.850, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2A	H319
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302

Discovory and Applicatios

6-Bromopyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione, also known as BPTD, was discovered through organic synthesis research aimed at developing novel heterocyclic compounds with potential applications in pharmaceuticals and materials science. Its synthesis involves the reaction of appropriate precursors to form the pyrrolo-triazine ring system, followed by bromination to introduce the bromine substituent. The discovery of BPTD represents a significant advancement in heterocyclic chemistry, offering a unique scaffold for the design and synthesis of functional molecules with diverse properties.

BPTD and its derivatives have shown potential as pharmaceutical agents due to their diverse biological activities. Researchers are exploring their use as anti-cancer, anti-inflammatory, and anti-microbial agents. The pyrrolo-triazine scaffold can be modified to enhance target specificity, bioavailability, and therapeutic efficacy.

BPTD-based compounds exhibit interesting electronic and optical properties, making them promising candidates for applications in materials science. They can be incorporated into organic semiconductors for use in electronic devices such as organic light-emitting diodes (OLEDs), organic photovoltaics (OPVs), and organic field-effect transistors (OFETs). Additionally, BPTD derivatives are being investigated for their potential as fluorescent dyes, sensors, and catalysts in various material systems.

The unique molecular structure of BPTD lends itself to the synthesis of dyes and pigments with specific color and light-absorption properties. BPTD-based dyes find applications in textile dyeing, ink formulations, and colorimetric assays.

BPTD derivatives have shown promise as photosensitizers for photodynamic therapy (PDT), a medical treatment that uses light-activated compounds to selectively destroy cancer cells. By conjugating BPTD with targeting molecules that recognize cancer cells, researchers can deliver the photosensitizer directly to tumor sites. Upon exposure to light of a specific wavelength, BPTD generates reactive oxygen species (ROS) that induce cell death, offering a non-invasive and targeted approach for cancer treatment.

BPTD and its derivatives serve as valuable building blocks in organic synthesis, enabling the construction of complex molecules with diverse functionalities. Chemists utilize BPTD as a starting material or intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials. Its versatility and reactivity make it a valuable tool for accessing novel chemical structures and exploring new reaction pathways.