207115-38-6

Basic information

• Product Name: BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER
• Synonyms: BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER;ETHYL 3-IODO-4-METHOXYBENZOATE;3-Iodo-4-methoxy-benzoic acid ethyl ester
• CAS NO: 207115-38-6
• Molecular Formula: C₁₀H₁₁IO₃
• Molecular Weight: 306.094
• Mol File: 207115-38-6.mol

Chemical Properties

• Boiling Point: 352.7 °C at 760 mmHg
• Flash Point: 167.1 °C
• Appearance: /
• Density: 1.611 g/cm³
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER(207115-38-6)
• EPA Substance Registry System: BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER(207115-38-6)

Safety Data

• Hazardous Substances Data: 207115-38-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER is used as a reagent in organic synthesis for the development of new drugs and pharmaceutical compounds. Its unique iodo-methoxy substituent and ethyl ester group provide specific chemical properties that can be exploited in the synthesis of various drug candidates.
Used in Chemical Industry:
In the chemical industry, BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER serves as an intermediate in the production of other compounds. Its versatile structure allows it to be a key component in the synthesis of a range of chemical products, contributing to the development of new materials and technologies.
Used in Organic Synthesis:
BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER is used as a building block in organic synthesis, enabling the creation of a variety of organic compounds with different functional groups and properties. Its presence in the synthesis process can lead to the development of novel molecules with potential applications in various fields, such as medicine, agriculture, and materials science.
Used in Drug Development:
BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER may have potential applications in the development of new drugs and materials due to its unique structure and properties. Researchers can explore its potential as a precursor or building block in the design and synthesis of innovative pharmaceutical agents, targeting various therapeutic areas and addressing unmet medical needs.

Upstream product

• 64-17-5 ethanol 
• 68507-19-7 3-iodo-4-methoxybenzoic acid 
• 15126-07-5 4-hydroxy-3-iodo-benzoic acid ethyl ester 
• 74-88-4 methyl iodide 
• 3337-66-4 methyl 4-hydroxy-3,5-diiodobenzoate 
• 4253-10-5 methyl 3,5-diiodo-4-methoxybenzoate 

Downstream Products

• 105401-94-3 ethyl 4-methoxy-3,5-dimethylbenzoate 

Relevant articles and documents

Pd-Catalyzed ipso, meta-Dimethylation of ortho-Substituted Iodoarenes via a Base-Controlled C-H Activation Cascade with Dimethyl Carbonate as the Methyl Source

A methyl group can have a profound impact on the pharmacological properties of organic molecules. Hence, developing methylation methods and methylating reagents is essential in medicinal chemistry. We report a palladium-catalyzed dimethylation reaction of ortho-substituted iodoarenes using dimethyl carbonate as a methyl source. In the presence of K2CO3 as a base, iodoarenes are dimethylated at the ipso- and meta-positions of the iodo group, which represents a novel strategy for meta-C-H methylation. With KOAc as the base, subsequent oxidative C(sp3)-H/C(sp3)-H coupling occurs; in this case, the overall transformation achieves triple C-H activation to form three new C-C bonds. These reactions allow expedient access to 2,6-dimethylated phenols, 2,3-dihydrobenzofurans, and indanes, which are ubiquitous structural motifs and essential synthetic intermediates of biologically and pharmacologically active compounds.

Iodothyronine Deiodinase Mimics. Deiodination of o,o'-Diiodophenols by Selenium and Tellurium Reagents

To better understand, and in the extension mimic, the action of the three selenium-containing iodothyronine deiodinases, o,o'-diiodophenols were reacted under acidic conditions with sodium hydrogen telluride, benzenetellurol, sodium hydrogen selenide, or benzeneselenol and under basic conditions with the corresponding deprotonated reagents. Sodium hydrogen telluride was found to selectively remove one iodine from a variety of 4-substituted o,o'-diiodophenols, including a protected form of thyroxine (T4). Thus, it mimics the D1 variety of the iodothyronine deiodinases. Sodium telluride was a more reactive deiodinating agent toward o,o'-diiodophenols, often causing removal of both halogens. Benzenetellurol and sodium benzenetellurolate sometimes showed useful selectivity for monodeiodination. However, the products were often contaminated by small amounts of organotellurium compounds. Sodium hydrogen selenide, sodium selenide, benzeneselenol, and sodium benzeneselenolate were essentially unreactive toward o,o'-diiodophenols. To gain more insight into thyroxine inner-ring deiodination, substituted 2,6-diiodophenyl methyl ethers were treated with some of the chalcogen reagents. Reactivity and selectivity for monodeiodination varied considerably depending on the substituents attached to the aromatic nucleus. In general, it was possible to find reagents that could bring about the selective mono- or dideiodination of these substrates.