Description

Carbamic Acid, [(1R,2R)-2-[[4-(1,1-Dimethylethyl)Phenyl]Thio]Cyclohexyl]-, 1,1-Dimethylethyl Ester, Rel- (9Ci) is a high-purity, stereochemically defined chiral intermediate of significant importance in advanced organic synthesis. This compound matters for its role as a critical building block in the development of novel, biologically active molecules, particularly within the pharmaceutical sector. It is primarily needed by R&D chemists and process development scientists working on complex targets such as enzyme inhibitors, receptor modulators, and other therapeutic agents where precise stereochemistry is paramount for efficacy.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of new active pharmaceutical ingredients (APIs), especially for central nervous system (CNS) and metabolic disorder targets.
• Asymmetric Synthesis: Utilized in stereoselective reactions to construct complex molecular architectures with high enantiomeric purity.
• Medicinal Chemistry Research: Serves as a versatile scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Process Chemistry Development: Used in scaling up synthetic routes from laboratory to pilot plant scale, requiring consistent quality and reliable supply.
• Chemical Biology Probes: Acts as a precursor for labeled compounds or probes used to study biological pathways and target engagement.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of client-specific novel compounds.

Basic Information

Product Name	Carbamic Acid, [(1R,2R)-2-[[4-(1,1-Dimethylethyl)Phenyl]Thio]Cyclohexyl]-, 1,1-Dimethylethyl Ester, Rel- (9Ci)
CAS No.	494867-98-0
Molecular Formula	C21H33NO2S
Molecular Weight	363.56 g/mol
Synonyms	tert-Butyl N-[(1R,2R)-2-[(4-tert-butylphenyl)sulfanyl]cyclohexyl]carbamate; (1R,2R)-2-[(4-tert-Butylphenyl)thio]cyclohexylcarbamic acid tert-butyl ester; rel-(1R,2R)-tert-Butyl (2-((4-(tert-butyl)phenyl)thio)cyclohexyl)carbamate; BOC-protected (1R,2R)-2-((4-tert-butylphenyl)thio)cyclohexylamine; CAS 494867-98-0; tert-Butyl ((1R,2R)-2-((4-(tert-butyl)phenyl)thio)cyclohexyl)carbamate
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Every batch of this chiral intermediate is characterized using advanced analytical techniques to confirm identity, stereochemical purity, and chemical purity. Certificates of Analysis (COA) are provided, detailing results for chiral purity (enantiomeric excess), chemical assay, and impurity profiles. We adhere to cGMP principles where applicable to support our clients' regulatory filings.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a cool, dry, and well-ventilated place. Keep the container tightly sealed to protect from moisture. For long-term storage, consider storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% e.e.
Related Substances (HPLC)	Total impurities ≤ 2.0% Any single impurity ≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines

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