Description

tert-Butyl 3-Ethynylbenzylcarbamate is a specialized organic building block featuring both a carbamate protecting group and a terminal alkyne functional group. This unique bifunctional structure makes it a highly valuable intermediate for constructing complex molecules in pharmaceutical and advanced materials research. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for applications such as medicinal chemistry, PROTAC development, and polymer synthesis.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting oncology and CNS disorders.
• Medicinal Chemistry & Drug Discovery: Used in high-throughput screening libraries and for constructing molecular scaffolds via click chemistry (CuAAC) and Sonogashira cross-coupling reactions.
• PROTAC (Proteolysis Targeting Chimera) Development: Serves as a versatile linker component, connecting E3 ligase ligands to target protein binders to facilitate targeted protein degradation.
• Agrochemical Synthesis: Employed in the research and development of novel herbicides, fungicides, and plant growth regulators.
• Material Science & Polymer Chemistry: Acts as a monomer or cross-linking agent for creating specialty polymers with tailored thermal, mechanical, or optical properties.
• Bioconjugation & Probe Development: The terminal alkyne enables efficient labeling of biomolecules (proteins, nucleic acids) for imaging, diagnostics, and biochemical assays.

Basic Information

Product Name	tert-Butyl 3-Ethynylbenzylcarbamate
CAS No.	871023-92-6
Molecular Formula	C14H17NO2
Molecular Weight	231.29 g/mol
Synonyms	Carbamic acid, N-[(3-ethynylphenyl)methyl]-, 1,1-dimethylethyl ester; tert-Butyl N-[(3-ethynylphenyl)methyl]carbamate; 3-Ethynylbenzylcarbamic acid tert-butyl ester; BOC-3-ethynylbenzylamine; N-Boc-3-ethynylbenzylamine; (3-Ethynylbenzyl)carbamic acid tert-butyl ester; tert-Butyl (3-ethynylbenzyl)carbamate
EINECS	Contact for details

Quality Control

Our tert-Butyl 3-Ethynylbenzylcarbamate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and MS, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment. We support development and commercial projects requiring compliance with cGMP, ICH Q7, and other relevant pharmaceutical guidelines.

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). Due to its hygroscopic nature, the container should be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation.

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)	≤ 0.5%
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.