Description

3-Hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid tert-butyl ester is a sophisticated heterocyclic building block of significant interest in advanced organic synthesis. This compound matters as a key intermediate for constructing complex nitrogen-containing molecular architectures, particularly in pharmaceutical research and development. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for the synthesis of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and other therapeutic areas.
• Agrochemical Research: Used in the development of new pesticides and herbicides, leveraging its complex azulene-based heterocyclic structure.
• Ligand and Catalyst Development: Serves as a sophisticated scaffold for creating novel ligands in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science: Investigated as a building block for organic electronic materials and dyes due to its extended π-system and nitrogen-rich core.
• Academic & Contract Research: Employed in universities and CROs (Contract Research Organizations) for methodological studies and the exploration of new chemical spaces.
• Peptidomimetics & Bioisosteres: Its structure is valuable for designing peptide mimics and bioisosteric replacements in medicinal chemistry programs.

Basic Information

Product Name	3-Hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid tert-butyl ester
CAS No.	1250998-08-3
Molecular Formula	C14H20N4O3
Molecular Weight	292.34 g/mol
Synonyms	tert-Butyl 3-(hydroxymethyl)-4,5,7,8-tetrahydro-1H-1,2,3a,6-tetraazaazulene-6-carboxylate; 1H-1,2,3a,6-Tetraazaazulene-6-carboxylic acid, 4,5,7,8-tetrahydro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester; 3-(Hydroxymethyl)-4,5,7,8-tetrahydro-1H-1,2,3a,6-tetraazaazulene-6-carboxylic acid tert-butyl ester; BOC-protected tetraazaazulene alcohol; Azulene-based heterocyclic building block.
EINECS	Contact for details

Quality Control

Our 3-Hydroxymethyl-4,5,7,8-tetrahydro-1,2,3a,6-tetraaza-azulene-6-carboxylic acid tert-butyl ester is produced under strict quality management systems. Each batch undergoes rigorous 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 comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurities is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

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