Description

(4-Bromo-2-Methyl-But-3-Yn-2-Yl) 4-Nitrobenzoate is a specialized organic compound featuring both a bromoalkyne and a nitrobenzoate ester functional group, making it a valuable synthetic intermediate. This compound is engineered for high-precision chemical synthesis, offering a unique molecular scaffold for constructing complex molecules. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for advanced R&D and fine chemical manufacturing.

Application

• Pharmaceutical Intermediate: Serves as a key building block in the synthesis of novel active pharmaceutical ingredients (APIs), particularly those requiring alkyne or aryl ester functionalities.
• Agrochemical Research: Used in the development and production of advanced crop protection agents and herbicides.
• Material Science: Acts as a precursor for specialty polymers and advanced organic materials with tailored properties.
• Chemical Synthesis: Employed in cross-coupling reactions (e.g., Sonogashira) and as a versatile electrophile or alkyne source in organic transformations.
• Academic & Industrial R&D: A critical reagent for method development and exploring new synthetic pathways in chemistry laboratories.

Basic Information

Product Name	(4-Bromo-2-Methyl-But-3-Yn-2-Yl) 4-Nitrobenzoate
CAS No.	100123-29-3
Molecular Formula	C₁₃H₁₂BrNO₄
Molecular Weight	326.14 g/mol
Synonyms	4-Nitrobenzoic Acid 4-Bromo-2-methyl-3-butyn-2-yl Ester; 4-Bromo-2-methylbut-3-yn-2-yl 4-nitrobenzoate; 2-Methyl-4-bromo-3-butyn-2-yl p-nitrobenzoate; p-Nitrobenzoic Acid 4-Bromo-2-methyl-3-butyn-2-yl Ester; 4-Bromo-2-methyl-2-butynyl 4-nitrobenzoate; 1-Bromo-3,3-dimethyl-1-butyn-3-yl 4-nitrobenzoate
EINECS	Contact for details

Quality Control

Our (4-Bromo-2-Methyl-But-3-Yn-2-Yl) 4-Nitrobenzoate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity suitable for research and industrial synthesis. We provide comprehensive analytical data, including HPLC, NMR, and GC-MS, to verify identity and purity. A Certificate of Analysis (COA) is supplied with every shipment, detailing all relevant 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 (typically 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 opaque secondary packaging.

Specification

Item	Specification
Appearance	White to off-white 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.