Description

Carbamic Acid, (3-Ethynylphenyl)-, 1,1-Dimethylethyl Ester (9Ci) is a specialized organic building block featuring a reactive ethynyl group and a tert-butyloxycarbonyl (Boc) protecting group. This compound is of significant value in synthetic organic chemistry, particularly for the construction of complex molecules where controlled functional group manipulation is required. It serves as a critical intermediate for researchers and process chemists in the pharmaceutical and advanced materials sectors, enabling the development of new active ingredients and functional polymers.

Application

This versatile chemical intermediate is primarily employed in sophisticated organic synthesis workflows. Key application areas include:

• Pharmaceutical Intermediate: Serves as a key building block in the research and development of new drug candidates, especially those targeting central nervous system (CNS) disorders and oncology.
• Peptide & Protein Chemistry: Used in solid-phase peptide synthesis (SPPS) and for the temporary protection of amine functionalities during multi-step synthetic sequences.
• Material Science Research: Acts as a monomer or precursor in the synthesis of specialty polymers, dendrimers, and functionalized surfaces with tailored properties.
• Agrochemical Synthesis: Employed in the development of novel herbicides, fungicides, and plant growth regulators requiring specific aromatic-alkyne architectures.
• Chemical Biology Probes: Utilized to create tagged molecules and probes for studying biological pathways and protein interactions via click chemistry (CuAAC) reactions.
• Academic & R&D Laboratories: A valuable reagent for methodological development and exploring new synthetic routes in university and industrial research settings.

Basic Information

Product Name	Carbamic Acid, (3-Ethynylphenyl)-, 1,1-Dimethylethyl Ester (9Ci)
CAS No.	185619-66-3
Molecular Formula	C13H15NO2
Molecular Weight	217.26 g/mol
Synonyms	tert-Butyl (3-ethynylphenyl)carbamate; N-Boc-3-ethynylaniline; 3-Ethynylphenylcarbamic acid tert-butyl ester; 1,1-Dimethylethyl N-(3-ethynylphenyl)carbamate; N-(tert-Butoxycarbonyl)-3-ethynylaniline; Boc-3-ethynylaniline; 3-(tert-Butoxycarbonylamino)phenylacetylene; (3-Ethynylphenyl)carbamic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our production of Carbamic Acid, (3-Ethynylphenyl)-, 1,1-Dimethylethyl Ester adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and GC for residual solvent analysis, to ensure it meets the exacting standards required for research and process chemistry. Certificates of Analysis (COA) with detailed chromatographic data are provided to guarantee traceability, consistency, and compliance with your internal specifications.

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). The compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain optimal purity and stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Melting Point	Contact for details
Water Content (KF)	≤ 0.5% w/w
Residual Solvents (GC)	Meets ICH guidelines

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