229028-10-8

Basic information

• Product Name: Methyl 4-broMoMethyl-3-iodobenzoate
• Synonyms: Methyl 4-broMoMethyl-3-iodobenzoate;Methyl 3-iodo-4-broMoMethylbenzoate;4-(Bromomethyl)-3-iodobenzoic acid methyl ester
• CAS NO: 229028-10-8
• Molecular Formula: C₉H₈BrIO₂
• Molecular Weight: 354.96709
• Mol File: 229028-10-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 76℃
• Boiling Point: 375.2±37.0 °C(Predicted)
• Appearance: /
• Density: 1.984
• CAS DataBase Reference: Methyl 4-broMoMethyl-3-iodobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-broMoMethyl-3-iodobenzoate(229028-10-8)
• EPA Substance Registry System: Methyl 4-broMoMethyl-3-iodobenzoate(229028-10-8)

Safety Data

• Hazardous Substances Data: 229028-10-8(Hazardous Substances Data)

Usage

General Description

Methyl 4-bromoMethyl-3-iodobenzoate is a chemical compound with the molecular formula C9H8BrIO2. It is a derivative of benzoic acid and contains both bromine and iodine atoms attached to the benzene ring. The presence of the methyl and ester groups indicates that it is a type of ester compound. This chemical is commonly used in organic synthesis for creating various pharmaceuticals, agrochemicals, and other fine chemicals. It also serves as a versatile building block for producing more complex organic compounds. Due to its potential applications in the field of chemistry, it is an important compound for research and development purposes.

Upstream product

• 82998-57-0 3-iodo-4-toluic acid 
• 67-56-1 methanol 
• 496944-09-3 4-(bromomethyl)-3-iodo-benzoic acid 
• 90347-66-3 methyl 3-iodo-4-methylbenzoate 

Downstream Products

• 229027-90-1 2-Iodo-4-(methoxycarbonyl)benzyl acetate 
• 229028-03-9 2-Ethynyl-4-(methyloxycarbonyl)benzyl acetate 
• 229027-96-7 4-Methoxycarbonyl-2-[2-(trimethylsilyl)ethyn-1-yl]benzyl acetate 
• 1332637-09-8 methyl 3-iodo-4-((3-(methoxycarbonyl)phenoxy)methyl)benzoate 
• 1332637-10-1 methyl 3-iodo-4-((4-(methoxycarbonyl)phenoxy)methyl)benzoate 
• 1332637-08-7 C₁₇H₁₅IO₅ 
• 1394351-52-0 C₂₃H₂₁I₂NO₆ 
• 1394351-12-2 (S)-2-ethyl 6-methyl 2-(2-iodo-4-(methoxycarbonyl)benzyl)indoline-2,6-dicarboxylate 
• 1394350-82-3 dimethyl 4,4'-(2-amino-2-(ethoxycarbonyl)propane-1,3-diyl)-bis(3-iodobenzoate) 
• 1219685-34-3 methyl 4-formyl-3-iodo-benzoate 

Relevant articles and documents

[18F]fluoroethyltriazolyl monocyclam derivatives as imaging probes for the chemokine receptor CXCR4

Determining chemokine receptor CXCR4 expression is significant in multiple diseases due to its role in promoting inflammation, cell migration and tumorigenesis. [68Ga]Pentixafor is a promising ligand for imaging CXCR4 expression in multiple tumor types, but its utility is limited by the physical properties of 68Ga. We screened a library of >200 fluorine-containing structural derivatives of AMD-3465 to identify promising candidates for in vivo imaging of CXCR4 expression by positron emission tomography (PET). Compounds containing fluoroethyltriazoles consistently achieved higher docking scores. Six of these higher scoring compounds were radiolabeled by click chemistry and evaluated in PC3-CXCR4 cells and BALB/c mice bearing bilateral PC3-WT and PC3-CXCR4 xenograft tumors. The apparent CXCR4 affinity of the ligands was relatively low, but tumor uptake was CXCR4-specific. The tumor uptake of [18F]RPS-534 (7.2 ± 0.3 %ID/g) and [18F]RPS-547 (3.1 ± 0.5 %ID/g) at 1 h p.i. was highest, leading to high tumor-to-blood, tumor-to-muscle, and tumor-to-lung ratios. Total cell-associated activity better predicted in vivo tumor uptake than did the docking score or apparent CXCR4 affinity. By this metric, and on the basis of their high yielding radiosynthesis, high tumor uptake, and good contrast to background, [18F]RPS-547, and especially [18F]RPS-534, are promising 18F-labeled candidates for imaging CXCR4 expression.

HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF

Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

Coupling reactions of ortho-substituted halobenzenes with alkynes. The synthesis of phenylacetylenes and symmetrical or unsymmetrical 1,2-diphenylacetylenes

The Pd- or Pd/Cu-catalyzed coupling reactions of halobenzenes bearing the methyl, hydroxymethyl, acetoxymethyl, methoxycarbonyl, or both methoxy and 4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl groups in the ortho-position with gaseous or metallated acetylene, (trialkylsilyl)acetylenes, and arylacetylenes have been systematically studied. Various functionalized aryl- or diarylacetylenes have been synthesized in good to excellent yields. Whereas additional fluoro, nitro, or methoxy group attached to the benzene ring does not interfere in the coupling reactions, the presence of a methoxycarbonyl requires a careful optimization of reaction conditions to achieve moderate yields.