Description

Butanethioic Acid, 4-[[(1,1-Dimethylethoxy)Carbonyl]Amino]- (9Ci) is a specialized organic building block featuring both a thioic acid and a protected amino (Boc) functional group. This unique bifunctional structure makes it a critical intermediate for the synthesis of complex molecules in advanced research and development. It is primarily utilized by pharmaceutical and agrochemical R&D teams for constructing peptide mimetics, enzyme inhibitors, and novel active ingredients. The compound, identified by CAS 644991-41-3, is supplied to meet the stringent purity demands of modern organic synthesis.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in protease inhibitor and peptidomimetic drug discovery programs.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides that require specific thioamide or modified amino acid motifs.
• Peptide Chemistry: Serves as a protected cysteine or homocysteine analog for the solid-phase and solution-phase synthesis of modified peptides and peptide conjugates.
• Chemical Biology Probes: Employed in the design and synthesis of activity-based probes (ABPs) and affinity labels for studying enzyme function and mechanism.
• Material Science Precursor: Potential monomer or functionalization agent for creating polymers with specific ligand-binding or catalytic properties.
• Academic & Contract Research: Essential reagent for synthetic methodology development and exploratory chemistry in university and CRO laboratories.

Basic Information

Product Name	Butanethioic Acid, 4-[[(1,1-Dimethylethoxy)Carbonyl]Amino]- (9Ci)
CAS No.	644991-41-3
Molecular Formula	C9H17NO3S
Molecular Weight	219.30 g/mol
Synonyms	4-[(tert-Butoxycarbonyl)amino]butanethioic acid; N-Boc-4-aminobutanethioic Acid; 4-(Boc-amino)butanethioic Acid; (4-{[(tert-Butoxy)carbonyl]amino}butyl)sulfanylformic acid (tautomer); tert-Butyl N-(4-sulfanyl-4-oxobutyl)carbamate; Boc-4-aminobutanethioic Acid; 4-Aminobutanethioic acid N-Boc derivative
EINECS	Contact for details

Quality Control

Our Butanethioic Acid, 4-[[(1,1-Dimethylethoxy)Carbonyl]Amino]- (9Ci) is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity for sensitive synthetic applications. All products undergo rigorous analytical testing, including HPLC, NMR, and MS, to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment. We support cGMP compliance for advanced R&D and pre-clinical manufacturing needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept tightly sealed after opening to minimize exposure to atmospheric moisture and light. For long-term storage, consider using desiccants and storing under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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