Description

n-[(1S,2S)-2-Isothiocyanatocyclohexyl]-Carbamic Acid-1,1-Dimethylethyl Ester is a high-purity chiral building block of significant interest in advanced organic synthesis. Its core value lies in the unique reactivity of the isothiocyanate group combined with a protected amine, enabling the precise construction of complex molecular architectures. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries developing novel active ingredients.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting CNS disorders and oncology.
• Agrochemical Research: Used in the development of advanced pesticides and herbicides where specific stereochemistry is crucial for biological activity.
• Peptidomimetics & Conjugate Chemistry: Serves as a versatile handle for introducing thiourea linkages or isosteres into peptide backbones and bioconjugates.
• Chemical Biology Probes: Employed in the design and synthesis of activity-based probes (ABPs) and other tools for studying enzyme function and protein interactions.
• Asymmetric Catalysis Ligand Precursor: Acts as a starting material for the preparation of chiral ligands and organocatalysts.
• Custom Synthesis & Contract Manufacturing: A critical raw material for CDMOs (Contract Development and Manufacturing Organizations) producing bespoke compounds for client projects.

Basic Information

Product Name	n-[(1S,2S)-2-Isothiocyanatocyclohexyl]-Carbamic Acid-1,1-Dimethylethyl Ester
CAS No.	1240122-99-9
Molecular Formula	C12H20N2O2S
Molecular Weight	256.36 g/mol
Synonyms	(1S,2S)-2-[(tert-Butoxycarbonyl)amino]cyclohexyl isothiocyanate; Boc-(1S,2S)-2-Aminocyclohexyl Isothiocyanate; tert-Butyl N-[(1S,2S)-2-isothiocyanatocyclohexyl]carbamate; (1S,2S)-Boc-DACH-NCS; (1S,2S)-2-(Boc-amino)cyclohexyl isothiocyanate; (1S,2S)-N-Boc-1,2-diaminocyclohexane isothiocyanate derivative
EINECS	Contact for details

Quality Control

Our production of n-[(1S,2S)-2-Isothiocyanatocyclohexyl]-Carbamic Acid-1,1-Dimethylethyl Ester adheres to stringent quality protocols to ensure batch-to-batch consistency and high chemical purity, critical for sensitive synthetic applications. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing identity, purity (typically >97% by HPLC), chiral purity (>99% ee), and impurity profiles. We operate under a quality management system and can supply material suitable for research and development under cGMP guidelines upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at 2-8°C (refrigerated) or as specified on the label or COA. This compound is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions to maintain stability and purity. Allow the sealed container to equilibrate to room temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 97.0%
Chiral Purity (HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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