Description

Decahydro-4-Isothiocyanato-1,1,4,7-Tetramethyl-1H-Cycloprop[E]Azulene CAS NO 56012-90-9 is a high-purity, specialized sesquiterpene derivative containing a reactive isothiocyanate functional group. This compound matters as a versatile and valuable chemical intermediate for advanced organic synthesis, enabling the introduction of the thiourea moiety into complex molecular architectures. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and fragrance industries for creating novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting various therapeutic areas.
• Agrochemical Synthesis: Used in the research and development of new pesticides, herbicides, or plant growth regulators where the isothiocyanate group enables specific biological activity.
• Fragrance & Flavor Chemistry: Acts as a precursor for synthesizing unique sesquiterpenoid-based aroma compounds and flavoring agents due to its complex cyclopropazulene backbone.
• Chemical Biology Probe Development: Utilized to create affinity probes or labeling reagents for studying protein-ligand interactions, leveraging the reactive -N=C=S group.
• Material Science Research: Investigated as a monomer or cross-linking agent in the development of specialized polymers with tailored properties.
• Academic & Industrial R&D: Employed as a reference standard or starting material in organic synthesis research for methodological studies and novel reaction development.

Basic Information

Product Name	Decahydro-4-Isothiocyanato-1,1,4,7-Tetramethyl-1H-Cycloprop[E]Azulene
CAS No.	56012-90-9
Molecular Formula	C15H23NS
Molecular Weight	249.41 g/mol
Synonyms	4-Isothiocyanato-1,1,4,7-tetramethyl-decahydro-1H-cycloprop[e]azulene; 1H-Cycloprop[e]azulene, decahydro-4-isothiocyanato-1,1,4,7-tetramethyl-; Guaiene isothiocyanate; Isothiocyanatoguaiene; α-Guaiene isothiocyanate; Sesquiterpene isothiocyanate derivative; (1R,4S,7R)-4-Isothiocyanato-1,1,4,7-tetramethyl-decahydro-1H-cycloprop[e]azulene (stereoisomer)
EINECS	Contact for details

Quality Control

Our Decahydro-4-Isothiocyanato-1,1,4,7-Tetramethyl-1H-Cycloprop[E]Azulene is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity suitable for research and synthesis. All products undergo rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to support your quality assurance and regulatory needs.

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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. For long-term storage, consider using desiccants or storing under an inert atmosphere.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥ 95.0% (Typical 97-99%)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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