Description

3-Iodo-5-tert-Butyl-Methyl Benzoate is a high-purity, synthetically valuable aromatic ester derivative. This compound serves as a critical advanced intermediate in organic synthesis, prized for its reactive iodine substituent and sterically hindered tert-butyl group. It is primarily utilized by pharmaceutical R&D and agrochemical laboratories for constructing complex molecules, including active pharmaceutical ingredients (APIs) and specialty fine chemicals.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry research.
• Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and plant growth regulators.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in transition metal catalysis.
• Material Science Research: Employed in the synthesis of functionalized monomers for advanced polymers and liquid crystals.
• Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed reactions (e.g., Suzuki, Sonogashira) for carbon-carbon bond formation.
• Chemical Reference Standard: Used as a high-purity analytical standard for quality control and method development.

Basic Information

Product Name	3-Iodo-5-tert-Butyl-Methyl Benzoate
CAS No.	217476-42-1
Molecular Formula	C12H15IO2
Molecular Weight	318.15 g/mol
Synonyms	Methyl 3-Iodo-5-tert-butylbenzoate; Benzoic acid, 3-iodo-5-(1,1-dimethylethyl)-, methyl ester; 5-tert-Butyl-3-iodobenzoic acid methyl ester; 3-Iodo-5-(tert-butyl)benzoic acid methyl ester; Methyl 5-tert-butyl-3-iodobenzoate; 3-Iodo-5-tert-butylbenzoic acid methyl ester
EINECS	Contact for details

Quality Control

Our 3-Iodo-5-tert-Butyl-Methyl Benzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high chemical purity and identity confirmation. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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