Description

(S)-(+)-3-Methyl-2-Butyl Isothiocyanate CAS NO 745783-99-7 is a chiral, highly volatile organic compound belonging to the isothiocyanate class, characterized by its specific stereochemistry and reactive functional group. This compound is a valuable chiral building block and intermediate for the synthesis of more complex molecules in advanced research and development. It is primarily utilized by pharmaceutical research laboratories, agrochemical developers, and specialty chemical manufacturers requiring enantiomerically pure intermediates for applications in asymmetric synthesis, medicinal chemistry, and material science.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for drugs targeting specific enantiomeric activity.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides where the specific stereochemistry can influence biological activity and environmental degradation profiles.
• Ligand and Catalyst Development: Employed in the synthesis of chiral ligands and organocatalysts for asymmetric catalysis, enhancing reaction selectivity and yield.
• Flavor and Fragrance Chemistry: Acts as a precursor for synthesizing specific sulfur-containing flavor compounds, contributing to complex aroma profiles.
• Material Science Research: Investigated as a monomer or cross-linking agent for creating polymers with unique optical or mechanical properties derived from its chiral center.
• Chemical Biology Probes: Utilized in the design of activity-based probes (ABPs) for studying enzyme function and protein interactions due to the reactive isothiocyanate group.

Basic Information

Product Name	(S)-(+)-3-Methyl-2-Butyl Isothiocyanate
CAS No.	745783-99-7
Molecular Formula	C6H11NS
Molecular Weight	129.22 g/mol
Synonyms	(S)-3-Methyl-2-butyl isothiocyanate; (S)-(+)-3-Methyl-2-butyl isothiocyanate; (2S)-3-Methylbutan-2-yl isothiocyanate; (S)-3-Methyl-2-butyl mustard oil; (S)-sec-Butyl isothiocyanate; (S)-1,2-Dimethylpropyl isothiocyanate; (S)-1-Methylbutyl isothiocyanate
EINECS	Contact for details

Quality Control

Our (S)-(+)-3-Methyl-2-Butyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including chiral purity analysis by HPLC and GC, to ensure high enantiomeric excess (ee) and chemical purity. Certificates of Analysis (COA) detailing identity, purity, and specific impurity profiles are provided with every shipment to guarantee reproducible performance in your sensitive synthetic applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at controlled room temperature (15-25°C). Due to its highly volatile nature, ensure containers are securely sealed and stored upright. Keep away from heat, sparks, and open flame. For long-term storage, consider storage under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 97.0%
Chiral Purity (HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.5%

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