Description

Carbamic Acid, [1-(Mercaptomethyl)-2-Methylpropyl]-, 1,1-Dimethylethyl Ester is a specialized organosulfur compound featuring a protected mercaptan (thiol) group and a tert-butyl carbamate moiety. This unique structure makes it a valuable building block and intermediate in advanced organic synthesis, particularly for the development of active pharmaceutical ingredients (APIs) and complex agrochemicals. It is primarily sought by R&D chemists and process development scientists in the pharmaceutical, biotechnology, and fine chemical industries for constructing molecules with specific stereochemistry and functional group compatibility.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of protease inhibitors, cysteine protease inhibitors, and other small molecule therapeutics.
• Peptidomimetic Synthesis: Used to introduce thiol-containing amino acid analogs or as a protecting group strategy in peptide and peptoid research.
• Agrochemical Research: Intermediate in the development of novel herbicides, fungicides, and plant growth regulators that utilize sulfur-based bioactivity.
• Ligand and Catalyst Preparation: Serves as a precursor for chiral ligands in asymmetric catalysis or for functionalizing metal-organic frameworks (MOFs).
• Polymer Modification: Can be used to introduce thiol functional groups into polymer backbones for cross-linking or creating responsive materials.
• Bioconjugation Chemistry: Potential use in creating linkers for antibody-drug conjugates (ADCs) or protein labeling due to its reactive and protectable thiol group.

Basic Information

Product Name	Carbamic Acid, [1-(Mercaptomethyl)-2-Methylpropyl]-, 1,1-Dimethylethyl Ester
CAS No.	441014-73-9
Molecular Formula	C10H21NO2S
Molecular Weight	219.34 g/mol
Synonyms	N-(tert-Butoxycarbonyl)-3-mercapto-2-methylvaline tert-Butyl Ester; tert-Butyl N-[(2S)-1-mercapto-2-methylbutan-2-yl]carbamate; (2S)-2-[(tert-Butoxycarbonyl)amino]-2-methyl-3-butanethiol; Boc-3-mercapto-2-methylvaline OtBu ester; N-Boc-3-mercapto-2-methylvaline tert-butyl ester; (2S)-2-({[(1,1-Dimethylethyl)oxy]carbonyl}amino)-2-methyl-3-butanethiol; (S)-tert-Butyl (1-mercapto-2-methylbutan-2-yl)carbamate
EINECS	Contact for details

Quality Control

Our production of Carbamic Acid, [1-(Mercaptomethyl)-2-Methylpropyl]-, 1,1-Dimethylethyl Ester adheres to stringent quality management protocols. Each batch is characterized and tested to ensure high chemical purity, correct stereochemistry, and consistent performance as a synthesis intermediate. We provide comprehensive analytical data including HPLC/GC for purity, chiral analysis, and NMR for structural confirmation. Certificates of Analysis (COA) detailing all specifications are available for every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry place. Recommended storage temperature is 2-8°C for long-term stability. The compound is easily oxidized; ensure containers are properly sealed after each use to minimize exposure to air. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC/GC)	≥ 97.0% (Area %)
Chiral Purity (Chiral HPLC)	≥ 98.0% ee (Typical)
Water Content (KF)	≤ 0.5%

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