Description

Benzene, 1-Ethynyl-2,3,5,6-Tetramethyl-4-Nitro- (9Ci) CAS NO 827319-19-7 is a specialized, multi-substituted benzene derivative featuring an ethynyl group and a nitro functionality, making it a valuable synthon for advanced organic synthesis. This compound is engineered to serve as a key building block in the development of complex molecular architectures, particularly in materials science and pharmaceutical research. It is essential for R&D chemists and process development scientists working on novel polymers, agrochemicals, and active pharmaceutical ingredients (APIs) requiring precise structural modifications.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the synthesis of novel drug candidates and active pharmaceutical ingredients (APIs), especially those requiring nitro- and alkyne-based functional groups for further coupling reactions.
• Agrochemical Research: Used in the development of new herbicides, pesticides, and fungicides, where its substituted benzene core provides a scaffold for creating compounds with specific biological activity.
• Material Science & Polymer Chemistry: Acts as a monomer or cross-linking agent in the production of specialty polymers, resins, and advanced materials with tailored thermal or optical properties.
• Organic Synthesis & Catalysis: Employed as a versatile building block in academic and industrial research for constructing complex organic molecules via Sonogashira coupling and other metal-catalyzed reactions.
• Ligand & Catalyst Development: Utilized in the design and synthesis of novel ligands for transition metal catalysts used in fine chemical and industrial processes.
• Dye & Pigment Intermediate: Functions as a key intermediate in the synthesis of specialized dyes, pigments, and colorants due to its nitro and aromatic structure.

Basic Information

Product Name	Benzene, 1-Ethynyl-2,3,5,6-Tetramethyl-4-Nitro- (9Ci)
CAS No.	827319-19-7
Molecular Formula	C12H13NO2
Molecular Weight	203.24 g/mol
Synonyms	1-Ethynyl-2,3,5,6-tetramethyl-4-nitrobenzene; 4-Nitro-1-ethynyl-2,3,5,6-tetramethylbenzene; 2,3,5,6-Tetramethyl-1-ethynyl-4-nitrobenzene; Nitro-tetramethyl-ethynylbenzene; (2,3,5,6-Tetramethyl-4-nitrophenyl)acetylene
EINECS	Contact for details

Quality Control

Our Benzene, 1-Ethynyl-2,3,5,6-Tetramethyl-4-Nitro- (9Ci) is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure high purity and batch-to-batch consistency essential for research and development. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flames. Due to the nitro and alkyne functional groups, this material should be stored separately from strong oxidizing agents and strong acids.

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%

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