Description

Carbamic Acid, n-[(2E)-3-Fluoro-2-(Hydroxymethyl)-2-Propen-1-Yl]-, 1,1-Dimethylethyl Ester is a specialized fluorinated carbamate derivative, serving as a crucial advanced pharmaceutical intermediate for the synthesis of novel active ingredients. Its unique structure, featuring a fluoroalkene moiety and a tert-butyloxycarbonyl (Boc) protecting group, makes it a versatile building block in modern medicinal chemistry. This compound is primarily utilized by R&D organizations and fine chemical manufacturers engaged in developing next-generation therapeutics, including protease inhibitors and other targeted small-molecule drugs.

Application

• Pharmaceutical Intermediate: A key synthon in the research and development of new chemical entities (NCEs), particularly for antiviral and anticancer drug candidates.
• Protease Inhibitor Synthesis: Used in constructing core scaffolds for inhibitors targeting specific enzymes like HCV NS3/4A protease or SARS-CoV-2 main protease (Mpro).
• Peptidomimetic Chemistry: The Boc-protected amine and fluorinated alkene are valuable for introducing conformational constraints and enhancing metabolic stability in peptide analogs.
• Medicinal Chemistry Research: Employed in structure-activity relationship (SAR) studies to explore fluorination effects on potency, selectivity, and pharmacokinetic properties.
• Fluorine Chemistry: Serves as a model compound for studying the reactivity of fluorinated alkenes in nucleophilic addition and cycloaddition reactions.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for scaled-up production under cGMP guidelines for clinical trial materials.

Basic Information

Product Name	Carbamic Acid, n-[(2E)-3-Fluoro-2-(Hydroxymethyl)-2-Propen-1-Yl]-, 1,1-Dimethylethyl Ester
CAS No.	1478364-91-8
Molecular Formula	C9H16FNO3
Molecular Weight	205.23 g/mol
Synonyms	tert-Butyl N-[(2E)-3-fluoro-2-(hydroxymethyl)prop-2-en-1-yl]carbamate; (2E)-3-Fluoro-2-(hydroxymethyl)prop-2-en-1-yl carbamic acid tert-butyl ester; Boc-3-fluoro-2-(hydroxymethyl)allylamine; N-Boc-3-fluoro-2-(hydroxymethyl)allylamine; 1,1-Dimethylethyl N-[(2E)-3-fluoro-2-(hydroxymethyl)-2-propen-1-yl]carbamate; (E)-tert-Butyl (3-fluoro-2-(hydroxymethyl)allyl)carbamate; Fluorinated Boc-protected allylamine; CAS 1478364-91-8
EINECS	Contact for details

Quality Control

Every batch of our Carbamic Acid, n-[(2E)-3-Fluoro-2-(Hydroxymethyl)-2-Propen-1-Yl]-, 1,1-Dimethylethyl Ester is manufactured and tested under a strict quality management system. We provide comprehensive analytical data to ensure identity, purity, and consistency, meeting the exacting standards required for pharmaceutical R&D. Certificates of Analysis (COA) detailing purity (typically by HPLC), identity confirmation (by NMR, IR, and MS), and impurity profiles are available for each lot. Our production can adhere to cGMP guidelines for advanced intermediates upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure (¹H & ¹³C NMR)
Purity (HPLC)	≥ 97.0% (Area %)
Water Content (KF)	≤ 0.5% w/w
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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