Description

Benzenamine, 2-(3,3-Dimethyl-1-Butyn-1-Yl)-4-Nitro- is a specialized nitro-substituted aniline derivative featuring a unique tert-butyl acetylene side chain, making it a valuable synthetic intermediate. This compound matters for its role in constructing complex molecular architectures, particularly in advanced pharmaceutical and agrochemical research where its structural motifs are key. It is primarily needed by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and crop protection industries for synthesizing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides and fungicides, leveraging its nitroaniline core.
• Material Science Research: Serves as a precursor for organic semiconductors, dyes, and photoactive materials due to its conjugated system.
• Chemical Biology Probes: Utilized in developing molecular probes and tags for studying biological processes.
• Cross-Coupling Reactions: The alkyne functionality makes it a suitable substrate for Sonogashira and other metal-catalyzed coupling reactions.
• Ligand Synthesis: Intermediate for creating specialized ligands used in catalysis and coordination chemistry.

Basic Information

Product Name	Benzenamine, 2-(3,3-Dimethyl-1-Butyn-1-Yl)-4-Nitro-
CAS No.	682357-48-8
Molecular Formula	C12H14N2O2
Molecular Weight	218.25 g/mol
Synonyms	2-(3,3-Dimethylbut-1-yn-1-yl)-4-nitroaniline; 4-Nitro-2-(3,3-dimethyl-1-butyn-1-yl)benzenamine; 2-(3,3-Dimethyl-1-butynyl)-4-nitroaniline; 4-Nitro-2-(tert-butyl-ethynyl)aniline; 2-(tert-Butylethynyl)-4-nitroaniline; AN-698/34236041; 682357-48-8; 4-Nitro-2-(3,3-dimethylbut-1-yn-1-yl)aniline
EINECS	Contact for details

Quality Control

Our Benzenamine, 2-(3,3-Dimethyl-1-Butyn-1-Yl)-4-Nitro- is produced under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure identity, purity, and consistency. Certificates of Analysis (COA) documenting all critical parameters are available upon request. We adhere to cGMP principles for pharmaceutical-grade material, ensuring traceability and reliability for your critical R&D and scale-up processes.

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). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be amber-colored or stored in light-resistant secondary packaging.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.