447464-03-1

Basic information

• Product Name: 2-FLUORO-3-IODOBENZOIC ACID
• Synonyms: 2-FLUORO-3-IODOBENZOIC ACID;BUTTPARK 122\01-03
• CAS NO: 447464-03-1
• Molecular Formula: C₇H₄FIO₂
• Molecular Weight: 266.01
• Mol File: 447464-03-1.mol

Chemical Properties

• Boiling Point: 331.018°C at 760 mmHg
• Flash Point: 153.994°C
• Appearance: /
• Density: 2.074±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.638
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 2.92±0.10(Predicted)
• CAS DataBase Reference: 2-FLUORO-3-IODOBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-FLUORO-3-IODOBENZOIC ACID(447464-03-1)
• EPA Substance Registry System: 2-FLUORO-3-IODOBENZOIC ACID(447464-03-1)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• Hazardous Substances Data: 447464-03-1(Hazardous Substances Data)

Usage

Uses

Used in Synthetic Chemistry:
2-Fluoro-3-Iodobenzoic Acid is used as a key intermediate in the synthesis of pharmaceuticals and various organic chemicals. Its unique combination of fluorine and iodine atoms allows for the creation of complex molecular structures that are essential in the development of new drugs and chemical compounds.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 2-Fluoro-3-Iodobenzoic Acid is utilized as a building block for the design and synthesis of novel drug molecules. Its properties enable the creation of compounds with improved pharmacokinetic and pharmacodynamic profiles, potentially leading to more effective treatments for a range of medical conditions.
Used in Organic Chemistry Research:
2-Fluoro-3-Iodobenzoic Acid serves as a valuable research tool in organic chemistry, where it is employed in the study of reaction mechanisms and the development of new synthetic methodologies. Its reactivity and stability make it an attractive candidate for exploring new chemical reactions and pathways.
Safety Considerations:
As with many synthetic chemicals, 2-Fluoro-3-Iodobenzoic Acid should be handled with care due to its potential to cause eye, skin, and respiratory irritation. Proper safety measures, such as wearing protective gear and working in a well-ventilated area, are essential to minimize the risk of adverse health effects.

InChI:InChI=1/C7H4FIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)

Upstream product

• 124-38-9 carbon dioxide 
• 348-52-7 1-Fluoro-2-iodobenzene 
• 211943-27-0 2-fluoro-3-iodobenzonitrile 
• 394-47-8 2-fluorobenzonitrile 

Downstream Products

• 307975-02-6 (2-fluoro-3-iodo-phenyl)-methanol 
• 1260830-14-5 methyl 2-fluoro-3-iodobenzoate 
• 501433-15-4 methyl 2-fluoro-3,4-diiodobenzoate 
• 913375-41-4 3-ethoxyoxalyl-2-fluoro-benzoic acid methyl ester 
• 913375-43-6 3-(3-chloro-8-methoxymethoxy-quinoxalin-2-yl)-2-fluoro-benzoic acid methyl ester 
• 913375-44-7 2-fluoro-3-(3-methoxy-8-methoxymethoxy-quinoxalin-2-yl)-benzoic acid 
• 688809-04-3 2-fluoro-3-(3-methoxy-8-methoxymethoxy-quinoxalin-2-yl)-benzoic acid methyl ester 
• 913375-42-5 3-[8-(tert-butyl-dimethyl-silanyloxy)-3-oxo-3,4-dihydro-quinoxalin-2-yl]-2-fluoro-benzoic acid methyl ester 
• 913375-45-8 N'-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-N'-[2-fluoro-3-(3-methoxy-8-methoxymethoxy-quinoxalin-2-yl)-benzoyl]-hydrazinecarboxylic acid allyl ester 
• 347185-53-9 2-fluoro-3-iodobenzaldehyde oxime 
• 347185-54-0 C₇H₄ClFINO 
• 1192744-57-2 N-cyclopropyl-2-fluoro-N'-hydroxy-3-iodobenzimidamide 
• 447463-29-8 (3-{4-[1-(2-fluoro-3-iodo-benzyloxy)-ethyl]-2-methoxy-5-nitro-phenoxy}-propyl)-carbamic acid tert-butyl ester 

Relevant articles and documents

Indolin-2-one p38α inhibitors III: Bioisosteric amide replacement

Crystallographic structural information was used in the design and synthesis of a number of bioisosteric derivatives to replace the amide moiety in a lead series of p38a inhibitors which showed general hydrolytic instability in human liver preparations. Triazole derivative 13 was found to have moderate bioavailability in the rat and demonstrated potent in-vivo activity in an acute model of inflammation.

New substituted indolin-2-one derivatives and their use as p39 mitogen-activated kinase inhibitors

This invention is directed to new inhibitors of the p38 mitogen-activated protein kinase having the general formula (I) to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy.

Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure

The design of a novel series of cyclin-dependent kinase (CDK) inhibitors containing a macrocyclic quinoxaline-2-one is reported. Structure-based drug design and optimization from the starting point of diarylurea 2, which we previously reported as a modera

The basicity gradient-driven migration of iodine: Conferring regioflexibility on the substitution of fluoroarenes

Six different fluoroarenes were submitted to the same transformations. Direct deprotonation with alkyllithium or lithium dialkylamide as reagents and subsequent carboxylation afforded the acids 1, 6, 11, 16, 18, and 23. If the aryllithium intermediate was trapped with iodine rather than with dry ice, an iodofluoroarene (2, 7, 12, 17, 19, and 24) was formed. This, upon treatment with lithium diisopropylamide, underwent deprotonation and iodine migration. The resulting new aryllithium species was intercepted either by carboxylation, to give the acids 3, 8, 13, 20, and 25, or by neutralization, to produce the iodofluoroarenes 4, 9, 14, 21, and 26. The latter family of compounds was converted into another set of acids 5, 10, 15, 22, and 27 by subsequent treatment with butyllithium or isopropylmagnesium chloride and carbon dioxide. ( Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002).

Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries

A method for encoding solid-phase split/mix combinatorial libraries using the chemical shift of synthetic fluoroarenes ('F-codes') has been developed. They have wide chemical shift dispersion and are detectable at the sub-μmol level. 19F NMR is