636-98-6 Usage
Description
1-Iodo-4-nitrobenzene is an organic compound that consists of a benzene ring with an iodine atom at the 1st position and a nitro group at the 4th position. It is a solid with significant applications across various industries due to its unique chemical properties.
Uses
1. Used in Organic Synthesis:
1-Iodo-4-nitrobenzene is used as a key intermediate for the synthesis of various organic compounds. Its presence in the molecule allows for a range of reactions, such as substitution, addition, and coupling, which are crucial in creating complex organic structures.
2. Used in Pharmaceutical Industry:
1-Iodo-4-nitrobenzene is utilized as a building block in the development of pharmaceutical drugs. Its unique structure and reactivity make it a valuable component in the synthesis of new and existing medications, contributing to the advancement of medical treatments.
3. Used in Agrochemicals:
In the agrochemical industry, 1-Iodo-4-nitrobenzene is employed as a starting material for the production of various agrochemicals, such as pesticides and herbicides. Its chemical properties enable the creation of effective compounds that help protect crops and enhance agricultural productivity.
4. Used in Dyestuff Industry:
1-Iodo-4-nitrobenzene is also used in the dyestuff industry as a raw material for the synthesis of various dyes and pigments. Its chemical structure allows for the development of a wide range of colors and shades, which are essential in various applications, including textiles, plastics, and printing inks.
Purification Methods
Precipitate it from acetone by addition of water, followed by recrystallisation from EtOH. [Beilstein 8 H 523, 8 H 523, 8 II 191, 8 III 623, 8 IV 743.]
Check Digit Verification of cas no
The CAS Registry Mumber 636-98-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,3 and 6 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 636-98:
(5*6)+(4*3)+(3*6)+(2*9)+(1*8)=86
86 % 10 = 6
So 636-98-6 is a valid CAS Registry Number.
InChI:InChI=1/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
636-98-6Relevant articles and documents
Challenger,Rothstein
, p. 1258,1262 (1934)
Palladium-Catalyzed Decarbonylative Iodination of Aryl Carboxylic Acids Enabled by Ligand-Assisted Halide Exchange
Boehm, Philip,Cacherat, Bastien,Lee, Yong Ho,Martini, Tristano,Morandi, Bill
supporting information, p. 17211 - 17217 (2021/07/02)
We report an efficient and broadly applicable palladium-catalyzed iodination of inexpensive and abundant aryl and vinyl carboxylic acids via in situ activation to the acid chloride and formation of a phosphonium salt. The use of 1-iodobutane as iodide source in combination with a base and a deoxychlorinating reagent gives access to a wide range of aryl and vinyl iodides under Pd/Xantphos catalysis, including complex drug-like scaffolds. Stoichiometric experiments and kinetic analysis suggest a unique mechanism involving C?P reductive elimination to form the Xantphos phosphonium chloride, which subsequently initiates an unusual halogen exchange by outer sphere nucleophilic substitution.
σ-Bond initiated generation of aryl radicals from aryl diazonium salts
Chan, Bun,McErlean, Christopher S. P.,Nashar, Philippe E.,Tatunashvili, Elene
, p. 1812 - 1819 (2020/03/17)
σ-Bond nucleophiles and molecular oxygen transform aryl diazonium salts into aryl radicals. Experimental and computational studies show that Hantzsch esters transfer hydride to aryl diazonium species, and that oxygen initiates radical fragmentation of the diazene intermediate to produce aryl radicals. The operational simplicity of this addition-fragmentation process for the generation of aryl radicals, by a polar-radical crossover mechanism, has been illustrated in a variety of bond-forming reactions.