Description

Thiocyanic Acid, 1,1-Dimethyl-2-Oxopropyl Ester (9Ci) is a specialized organic thiocyanate ester, a key building block in advanced chemical synthesis. This compound matters for its role as a versatile intermediate, enabling the introduction of the thiocyanate functional group into more complex molecular architectures. It is needed by R&D chemists and process development teams in the pharmaceutical, agrochemical, and specialty chemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Used in the synthesis of novel drug candidates and active pharmaceutical ingredients (APIs), particularly those requiring thiocyanate or isothiocyanate moieties.
• Agrochemical Synthesis: Serves as a precursor in the development of new herbicides, fungicides, and insecticides, leveraging the bioactivity of the SCN group.
• Chemical Research & Development: A valuable reagent in organic synthesis labs for constructing heterocyclic compounds and conducting functional group transformations.
• Polymer Chemistry: Can be utilized as a monomer or cross-linking agent in the production of specialty polymers with unique properties.
• Ligand and Catalyst Preparation: Employed in the preparation of specialized ligands for metal complexes used in catalytic processes.

Basic Information

Product Name	Thiocyanic Acid, 1,1-Dimethyl-2-Oxopropyl Ester (9Ci)
CAS No.	85829-79-4
Molecular Formula	C6H9NO2S
Molecular Weight	159.21 g/mol
Synonyms	3-Methyl-2-oxobutyl thiocyanate; 1,1-Dimethyl-2-oxopropyl thiocyanate; 3-Methyl-2-oxobutyl ester of thiocyanic acid; Thiocyanic acid, 3-methyl-2-oxobutyl ester; 2-Oxo-3-methylbutyl thiocyanate; NSC 405124; 3-Methyl-2-oxobutyl rhodanate
EINECS	Contact for details

Quality Control

Our production of Thiocyanic Acid, 1,1-Dimethyl-2-Oxopropyl Ester adheres to stringent quality protocols to ensure batch-to-batch consistency and reliability for your synthetic processes. Each lot undergoes comprehensive analytical testing, including purity assay and identity confirmation. Certificates of Analysis (COA) documenting all critical parameters are available upon request 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 area. Recommended storage temperature is 2-8°C for long-term stability. Keep away from strong oxidizing agents, strong bases, and sources of heat.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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