Description

tert-Butyl 3-Iodo-2-Methoxybenzoate is a high-purity, synthetically valuable benzoate derivative characterized by its tert-butyl ester and ortho-substituted iodine and methoxy groups. This compound serves as a crucial advanced pharmaceutical intermediate and versatile building block in organic synthesis, enabling the construction of complex molecules. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for applications such as cross-coupling reactions and targeted molecular synthesis.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring a functionalized benzoate core.
• Cross-Coupling Reactions: The iodine substituent makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Stille, and Sonogashira couplings to form new carbon-carbon bonds.
• Agrochemical Research: Used in the development and synthesis of novel herbicides, fungicides, and plant growth regulators.
• Material Science: Serves as a monomer or precursor in the development of specialty polymers and liquid crystals.
• Chemical Synthesis: Versatile reagent for introducing the 3-iodo-2-methoxybenzoate moiety into more complex molecular architectures in academic and industrial research.
• Diagnostic Reagents: Potential use in the synthesis of contrast agents or labeled compounds for imaging and diagnostic applications.

Basic Information

Product Name	tert-Butyl 3-Iodo-2-Methoxybenzoate
CAS No.	1613269-59-2
Molecular Formula	C12H15IO3
Molecular Weight	334.15 g/mol
Synonyms	3-Iodo-2-methoxybenzoic acid tert-butyl ester; 2-Methoxy-3-iodobenzoic acid tert-butyl ester; tert-Butyl 3-iodo-2-methoxybenzoate; Benzoic acid, 3-iodo-2-methoxy-, 1,1-dimethylethyl ester; 1,1-Dimethylethyl 3-iodo-2-methoxybenzoate
EINECS	Contact for details

Quality Control

Our tert-Butyl 3-Iodo-2-Methoxybenzoate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to guarantee traceability and consistency.

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. The container should be kept tightly sealed to prevent moisture absorption and contamination.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	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.