502649-73-2

Basic information

• Product Name: methyl 2-(3-iodophenyl)acetate
• Synonyms: methyl 2-(3-iodophenyl)acetate
• CAS NO: 502649-73-2
• Molecular Formula: C₉H₉IO₂
• Molecular Weight: 276.07103
• Mol File: 502649-73-2.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 290.5±23.0 °C(Predicted)
• Appearance: /
• Density: 1.680±0.06 g/cm3(Predicted)
• CAS DataBase Reference: methyl 2-(3-iodophenyl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-(3-iodophenyl)acetate(502649-73-2)
• EPA Substance Registry System: methyl 2-(3-iodophenyl)acetate(502649-73-2)

Safety Data

• Hazardous Substances Data: 502649-73-2(Hazardous Substances Data)

Usage

Description

Methyl 2-(3-iodophenyl)acetate is an organic compound that belongs to the class of esters. It is a colorless liquid with a distinctive odor, commonly used in the production of fragrances and flavorings. This chemical is a key building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also utilized as an intermediate in the manufacture of various products, including polymers, resins, and dyes. Methyl 2-(3-iodophenyl)acetate is important in both industrial and laboratory settings, due to its versatility and wide range of applications.

Uses

Used in Fragrance and Flavoring Industry:
Methyl 2-(3-iodophenyl)acetate is used as a key ingredient for creating distinctive scents and flavors in fragrances and flavorings. Its unique odor and versatility make it a valuable component in the development of various scent and taste profiles.
Used in Pharmaceutical Industry:
Methyl 2-(3-iodophenyl)acetate is used as a building block in the synthesis of pharmaceuticals. Its chemical properties allow it to be incorporated into the structure of various drugs, contributing to their efficacy and therapeutic potential.
Used in Agrochemical Industry:
Methyl 2-(3-iodophenyl)acetate is used as a key component in the development of agrochemicals. Its ability to be synthesized into various organic compounds makes it a valuable asset in the creation of pesticides, herbicides, and other agricultural products.
Used in Polymer and Resin Industry:
Methyl 2-(3-iodophenyl)acetate is used as an intermediate in the manufacture of polymers and resins. Its chemical properties enable it to be incorporated into the production process, resulting in the creation of various types of polymers and resins with specific properties and applications.
Used in Dye Industry:
Methyl 2-(3-iodophenyl)acetate is used as a precursor in the synthesis of dyes. Its ability to be transformed into different chemical structures allows it to be used in the production of a wide range of dyes with varying colors and properties.

Upstream product

• 67-56-1 methanol 
• 1878-69-9 3-iodophenylacetic acid 
• 618-51-9 3-Iodobenzoic acid 
• 18107-18-1 diazomethyl-trimethyl-silane 
• 150529-73-0 methyl 2-(3-bromophenyl)acetatee 
• 16695-14-0 Malonic acid monomethyl ester 

Downstream Products

• 861857-76-3 methyl 2-(3-iodophenyl)-2-methylpropanoate 
• 1002101-17-8 methyl (3-(pentyn-1-yl)phenyl)acetate 
• 1097731-43-5 methyl (3-{2'-[3''-(tert-butoxycarbonylamino-methyl)-phenyl]-vinyl}-phenyl)acetate 
• 1191447-01-4 methyl 2-[3'-(6''-hydroxyhex-1''-ynyl)phenyl]acetate 
• 1191446-95-3 methyl 2-{3'-[13''-(3'''-(tert-butyldimethylsilyloxy)-17'''β-(tetrahydro-2H-pyran-2-yl-oxy)-estra-1''',3''',5'''(10''')-trien-16'''β-yl)tridec-1-ynyl]phenyl}acetate 
• 1218999-71-3 methyl 3-(2-chloropyridin-4-yl)phenylacetate 
• 1218999-64-4 methyl 2-(3-iodophenyl)propanoate 
• 1254580-38-5 [3-(3-hydroxyprop-1-ynyl)phenyl]acetic acid methyl ester 
• 1254580-39-6 [3-(3-hydroxypropyl)phenyl]acetic acid methyl ester 
• 1254580-40-9 [3-(3-oxopropyl)phenyl]acetic acid methyl ester 
• 1254580-41-0 (Z)-(3-pent-3-enylphenyl)acetic acid methyl ester 
• 1372403-89-8 (E)-(3-pent-3-enylphenyl)acetic acid methyl ester 
• 1395060-34-0 methyl 2-(3-(5,11-dihydro-2-ethyl-5-methyl-11-methylene-6-oxodibenz[b,e]azepin-8-yl)phenyl)acetate 
• 1395060-01-1 C₂₆H₂₃NO₃ 

Relevant articles and documents

OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS

Described herein are methods of oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis.

Ambient Decarboxylative Arylation of Malonate Half-Esters via Oxidative Catalysis

We report decarboxylative carbonyl α-arylation by coupling of arylboron nucleophiles with malonic acid derivatives. This process is enabled by the merger of aerobic oxidative Cu catalysis with decarboxylative enolate interception reminiscent of malonyl-CoA reactivity in polyketide biosynthesis. This method enables the synthesis of monoaryl acetate derivatives containing electrophilic functional groups that are incompatible with existing α-arylation reactivity paradigms. The utility of the reaction is demonstrated in drug intermediate synthesis and late-stage functionalization.

Design, synthesis, and biological evaluation of novel transrepression- selective liver X receptor (LXR) ligands with 5,11-dihydro-5-methyl-11- methylene-6 H-dibenz[ b, e ]azepin-6-one skeleton

To obtain novel transrepression-selective liver X receptor (LXR) ligands, we adopted a strategy of reducing the transactivational agonistic activity of the 5,11-dihydro-5-methyl-11-methylene-6H-dibenz[b,e]azepin-6-one derivative 10, which exhibits LXR-mediated transrepressional and transactivational activity. Structural modification of 10 based on the reported X-ray crystal structure of the LXR ligand-binding domain led to a series of compounds, of which almost all exhibited transrepressional activity at 1 or 10 μM but showed no transactivational activity even at 30 μM. Among the compounds obtained, 18 and 22 were confirmed to have LXR-dependent transrepressional activity by using peritoneal macrophages from wild-type and LXR-null mice. A newly developed fluorescence polarization assay indicated that they bind directly to LXRα. Next, further structural modification was performed with the guidance of docking simulations with LXRα, focusing on enhancing the binding of the ligands with LXRα through the introduction of substituents or heteroatom(s). Among the compounds synthesized, compound 48, bearing a hydroxyl group, showed potent, selective, and dose-dependent transrepressional activity.