503821-94-1

Basic information

• Product Name: 3-BroMo-2-iodobenzoic acid
• Synonyms: 3-BroMo-2-iodobenzoic acid
• CAS NO: 503821-94-1
• Molecular Formula: C₇H₄BrIO₂
• Molecular Weight: 326.91393
• Mol File: 503821-94-1.mol

Chemical Properties

• Melting Point: 148-151 °C
• Boiling Point: 365.2±32.0 °C(Predicted)
• Appearance: /
• Density: 2.331±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 2.47±0.10(Predicted)
• CAS DataBase Reference: 3-BroMo-2-iodobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BroMo-2-iodobenzoic acid(503821-94-1)
• EPA Substance Registry System: 3-BroMo-2-iodobenzoic acid(503821-94-1)

Safety Data

• Hazardous Substances Data: 503821-94-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Bromo-2-iodobenzoic acid is used as a key intermediate for the synthesis of various pharmaceuticals. Its unique substitution pattern allows for the creation of diverse drug molecules, contributing to the development of new treatments and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 3-Bromo-2-iodobenzoic acid serves as a crucial component in the production of pesticides and other agrochemicals. Its chemical properties enable the design of effective compounds for crop protection and enhancement of agricultural yields.
Used in Material Science:
3-Bromo-2-iodobenzoic acid is utilized as a building block in the synthesis of advanced materials with specific properties. Its presence in these materials can influence characteristics such as stability, reactivity, and other desirable traits for various applications.
Used in Organic Synthesis:
As a versatile chemical reagent, 3-Bromo-2-iodobenzoic acid is employed in organic synthesis for the preparation of a wide range of organic compounds. Its ability to participate in various chemical reactions makes it an invaluable tool for chemists in creating new and complex molecules.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-Bromo-2-iodobenzoic acid is used as a starting material for the development of potential drug candidates. Its unique structure allows for the exploration of new chemical spaces and the discovery of novel therapeutic agents.

Upstream product

• 585-76-2 m-bromobenzoic acid 
• 20776-51-6 2-amino-3-bromo benzoic acid 

Downstream Products

• 1261571-03-2 (3-bromo-2-iodophenyl)methanol 
• 129095-08-5 5,6-dimethylxanthenone-4-acetic acid sodium salt 
• 117570-53-3 vadimezan 
• 1035912-41-4 3-bromo-2-(2,3-dimethylphenoxy)-benzoic acid 

Relevant articles and documents

IrIII-Catalyzed Selective ortho-Monoiodination of Benzoic Acids with Unbiased C?H Bonds

An iridium-catalyzed selective ortho-monoiodination of benzoic acids with two equivalent C?H bonds is presented. A wide range of electron-rich and electron-poor substrates undergo the reaction under mild conditions, with >20:1 mono/di selectivity. Importantly, the C?H iodination occurs selectively ortho to the carboxylic acid moiety in substrates bearing competing coordinating directing groups. The reaction is performed at room temperature and no inert atmosphere or exclusion of moisture is required. Mechanistic investigations revealed a substrate-dependent reversible C?H activation/protodemetalation step, a substrate-dependent turnover-limiting step, and the crucial role of the AgI additive in the deactivation of the iodination product towards further reaction.

One-Pot Synthesis and Conformational Analysis of Six-Membered Cyclic Iodonium Salts

Two one-pot procedures for the construction of carbon-bridged diaryliodonium triflates and tetrafluoroborates are described. Strong Br?nsted acids enable the effective Friedel-Crafts alkylation with diversely substituted o-iodobenzyl alcohol derivatives, providing diphenylmethane scaffolds, which are subsequently oxidized and cyclized to the corresponding dibenzo[b,e]iodininium salts. Based on NMR investigations and density functional theory (DFT) calculations, we could verify the so-far-undescribed existence of two stable isomers in cyclic iodonium salts substituted with aliphatic side chains in the carbon bridge.

Ortho-metalation of unprotected 3-bromo and 3-chlorobenzoic acids with hindered lithium dialkylamides

Upon treatment of 3-chloro/bromobenzoic acids with hindered lithium dialkylamides (LDA or LTMP) at -50 °C, lithium 3-chloro/bromo-2-lithiobenzoates are generated. These dianions can be trapped as such to afford after electrophilic quenching a variety of s