Description

Thiocyanic Acid, 2-Methyl-3-Oxobutyl Ester (9Ci) CAS NO 100850-70-2 is a specialized organic thiocyanate ester, a versatile chemical intermediate characterized by its unique combination of a thiocyanate group and a keto-ester moiety. This compound is valued for its role in synthesizing complex molecules, particularly in the development of pharmaceuticals and advanced agrochemicals where the introduction of sulfur-containing functional groups is critical. It serves as a key building block for research chemists and process development scientists in fine chemical, pharmaceutical, and crop protection industries seeking to innovate new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of novel drug candidates, especially those targeting neurological disorders and metabolic diseases.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, leveraging the thiocyanate group for enhanced biological activity.
• Chemical Research & Development: Serves as a versatile building block in organic synthesis for creating sulfur-containing heterocycles and complex molecular architectures.
• Polymer Modification: Acts as a functional monomer or cross-linking agent in the development of specialty polymers with tailored properties.
• Ligand Synthesis: Employed in the preparation of specialized ligands for catalysis and metal-organic frameworks (MOFs).
• Dye and Pigment Manufacturing: Utilized as an intermediate in the synthesis of certain sulfur-based colorants.

Basic Information

Product Name	Thiocyanic Acid, 2-Methyl-3-Oxobutyl Ester (9Ci)
CAS No.	100850-70-2
Molecular Formula	C6H9NO2S
Molecular Weight	159.21 g/mol
Synonyms	2-Methyl-3-oxobutyl thiocyanate; 3-Oxo-2-methylbutyl thiocyanate; Acetylacetone thiocyanate derivative; 1-Thiocyanato-3-methyl-2-butanone; 2-Methylacetoacetyl thiocyanate; 3-Methyl-2-oxobutyl thiocyanate; Isopropyl ketone thiocyanate
EINECS	Contact for details

Quality Control

Our production of Thiocyanic Acid, 2-Methyl-3-Oxobutyl Ester adheres to stringent quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatographic purity analysis and structural confirmation, to ensure consistency and meet the exacting standards required for advanced synthetic applications. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles 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, well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. This material is moisture-sensitive; ensure containers are kept tightly sealed to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Refractive Index	1.480 - 1.490
Density	1.10 - 1.20 g/mL

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