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1-Azido-1,2-benziodoxol-3(1H)-one is an efficient reagent used in the field of organic chemistry, specifically for the iron-catalyzed azidation of tertiary C-H bonds. This reagent is particularly suitable for late-stage functionalization, allowing for the selective introduction of azide groups into complex molecular structures.

160732-56-9

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160732-56-9 Usage

Uses

Used in Pharmaceutical Industry:
1-Azido-1,2-benziodoxol-3(1H)-one is used as a key reagent for the synthesis of various pharmaceutical compounds. Its ability to selectively introduce azide groups into complex molecules makes it a valuable tool in the development of new drugs and the modification of existing ones.
Used in Chemical Research:
In the field of chemical research, 1-Azido-1,2-benziodoxol-3(1H)-one is used as a versatile reagent for the functionalization of organic molecules. Its application in the iron-catalyzed azidation of tertiary C-H bonds allows researchers to explore new reaction pathways and develop innovative synthetic strategies.
Used in Material Science:
1-Azido-1,2-benziodoxol-3(1H)-one is also utilized in the field of material science, where it can be employed to functionalize polymers and other materials with azide groups. This can lead to the development of new materials with enhanced properties, such as improved stability or reactivity.
Overall, 1-Azido-1,2-benziodoxol-3(1H)-one is a valuable reagent with a wide range of applications across various industries, including pharmaceuticals, chemical research, and material science. Its ability to selectively introduce azide groups into complex molecular structures makes it a promising tool for the development of new drugs, materials, and synthetic strategies.

Check Digit Verification of cas no

The CAS Registry Mumber 160732-56-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,0,7,3 and 2 respectively; the second part has 2 digits, 5 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 160732-56:
(8*1)+(7*6)+(6*0)+(5*7)+(4*3)+(3*2)+(2*5)+(1*6)=119
119 % 10 = 9
So 160732-56-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H4IN3O2/c9-11-10-8-6-4-2-1-3-5(6)7(12)13-8/h1-4H

160732-56-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Azido-1,2-benziodoxol-3(1H)-one

1.2 Other means of identification

Product number -
Other names (azidomethylene)dibenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:160732-56-9 SDS

160732-56-9Relevant academic research and scientific papers

Preparation, X-ray crystal structure, and chemistry of stable azidoiodinanes-derivatives of benziodoxole

Zhdankin, Viktor V.,Krasutsky, Alexei P.,Kuehl, Chris J.,Simonsen, Angela J.,Woodward, Jessica K.,Mismash, Brian,Bolz, Jason T.

, p. 5192 - 5197 (1996)

Azidoiodinanes 2 and 4a,b can be prepared from the appropriate benziodoxoles 1 and 3a,b and trimethylsilyl azide in the form of stable, crystalline compounds. A single-crystal X-ray analysis for azide 4b revealed the expected hypervalent iodine distorted

N-Terminal Selective C?H Azidation of Proline-Containing Peptides: a Platform for Late-Stage Diversification

Allouche, Emmanuelle M. D.,Simonet-Davin, Rapha?l,Waser, Jerome

, (2022/02/25)

A methodology for the C?H azidation of N-terminal proline-containing peptides was developed employing only commercially available reagents. Peptides bearing a broad range of functionalities and containing up to 6 amino acids were selectively azidated at the carbamate-protected N-terminal residue in presence of the numerous other functional groups present on the molecules. Post-functionalizations of the obtained aminal compounds were achieved: cycloaddition reactions or C?C bond formations via a sequence of imine formation/nucleophilic addition were performed, offering an easy access to diversified peptides.

Site Selective Chlorination of C(sp3)?H Bonds Suitable for Late-Stage Functionalization

Fawcett, Alexander,Keller, M. Josephine,Herrera, Zachary,Hartwig, John F.

, p. 8276 - 8283 (2021/03/15)

C(sp3)?Cl bonds are present in numerous biologically active small molecules, and an ideal route for their preparation is by the chlorination of a C(sp3)?H bond. However, most current methods for the chlorination of C(sp3)?H bonds are insufficiently site selective and tolerant of functional groups to be applicable to the late-stage functionalization of complex molecules. We report a method for the highly selective chlorination of tertiary and benzylic C(sp3)?H bonds to produce the corresponding chlorides, generally in high yields. The reaction occurs with a mixture of an azidoiodinane, which generates a selective H-atom abstractor under mild conditions, and a readily-accessible and inexpensive copper(II) chloride complex, which efficiently transfers a chlorine atom. The reaction's exceptional functional group tolerance is demonstrated by the chlorination of >30 diversely functionalized substrates and the late-stage chlorination of a dozen derivatives of natural products and active pharmaceutical ingredients.

Site-Selective Copper-Catalyzed Azidation of Benzylic C-H Bonds

Suh, Sung-Eun,Chen, Si-Jie,Mandal, Mukunda,Guzei, Ilia A.,Cramer, Christopher J.,Stahl, Shannon S.

, p. 11388 - 11393 (2020/07/21)

Site selectivity represents a key challenge for non-directed C-H functionalization, even when the C-H bond is intrinsically reactive. Here, we report a copper-catalyzed method for benzylic C-H azidation of diverse molecules. Experimental and density functional theory studies suggest the benzyl radical reacts with a CuII-azide species via a radical-polar crossover pathway. Comparison of this method with other C-H azidation methods highlights its unique site selectivity, and conversions of the benzyl azide products into amine, triazole, tetrazole, and pyrrole functional groups highlight the broad utility of this method for target molecule synthesis and medicinal chemistry.

Cyclic Hypervalent Iodine Reagents for Azidation: Safer Reagents and Photoredox-Catalyzed Ring Expansion

Alazet, Sebastien,Preindl, Johannes,Simonet-Davin, Raphael,Nicolai, Stefano,Nanchen, Annik,Meyer, Thierry,Waser, Jerome

, p. 12334 - 12356 (2018/09/27)

Azides are building blocks of increasing importance in synthetic chemistry, chemical biology, and materials science. Azidobenziodoxolone (ABX, Zhdankin reagent) is a valuable azide source, but its safety profile has not been thoroughly established. Herein, we report a safety study of ABX, which shows its hazardous nature. We introduce two derivatives, tBu-ABX and ABZ (azidobenziodazolone), with a better safety profile, and use them in established photoredox- and metal-mediated azidations, and in a new ring-expansion of silylated cyclobutanols to give azidated cyclopentanones.

Divergent Access to (1,1) and (1,2)-Azidolactones from Alkenes using Hypervalent Iodine Reagents

Alazet, Sébastien,Le Vaillant, Franck,Nicolai, Stefano,Courant, Thibaut,Waser, Jerome

, p. 9501 - 9504 (2017/07/22)

A versatile synthesis of azidolactones through azidation and cyclization of carboxylic acids onto alkenes has been developed. Based on either photoredox or palladium catalysis, (1,1) and (1,2) azido lactones can be selectively synthesized. The choice of catalyst and benziodoxol(on)e reagent serving as azide source was essential to initiate either a radical or Lewis acid mediated process with divergent outcome. These transformations were carried out under mild conditions using a low catalyst loading and gave access to a large scope of azido lactones.

Site-Selective Copper-Catalyzed Amination and Azidation of Arenes and Heteroarenes via Deprotonative Zincation

Hendrick, Charles E.,Bitting, Katie J.,Cho, Seoyoung,Wang, Qiu

, p. 11622 - 11628 (2017/08/30)

Arene amination is achieved by site-selective C-H zincation followed by copper-catalyzed coupling with O-benzoylhydroxylamines under mild conditions. Key to this success is ortho-zincation mediated by lithium amidodiethylzincate base that is effective for a wide range of arenes, including nonactivated arenes bearing simple functionalities such as fluoride, chloride, ester, amide, ether, nitrile, and trifluoromethyl groups as well as heteroarenes including indole, thiophene, pyridine, and isoquinoline. An analogous C-H azidation is also accomplished using azidoiodinane for direct introduction of a useful azide group onto a broad scope of arenes and heteroarenes. These new transformations offer rapid access to valuable and diverse chemical space of aminoarenes. Their broad applications in organic synthesis and drug discovery are demonstrated in the synthesis of novel analogues of natural product (-)-nicotine and antidepressant sertraline by late-stage amination and azidation reactions.

Regio- and Stereoselective Iron-Catalyzed Oxyazidation of Enamides Using a Hypervalent Iodine Reagent

Bertho, Sylvain,Rey-Rodriguez, Romain,Colas, Cyril,Retailleau, Pascal,Gillaizeau, Isabelle

, p. 17674 - 17677 (2017/12/07)

A novel regio- and diastereoselective iron-catalyzed intermolecular oxyazidation of enamides using various azidobenziodoxolone (ABX) derivatives is presented. A variety of α-N3 amino derivatives and of α-N3 piperidines were synthesized in good yields and under mild reaction conditions. The reaction involves a radical process using cheap FeCl2 as the initiator.

Room-temperature Cu(ii)-catalyzed aromatic C-H azidation for the synthesis of ortho-azido anilines with excellent regioselectivity

Fan, Yunpeng,Wan, Wen,Ma, Guobin,Gao, Wei,Jiang, Haizhen,Zhu, Shizheng,Hao, Jian

, p. 5733 - 5736 (2014/05/20)

Cu(ii)-catalyzed aromatic C-H azidation with azido-benziodoxolone under mild conditions has been described. The primary amine exhibits an excellent ortho-directing effect, providing ortho-azidated anilines as the sole products. the Partner Organisations 2014.

Azidation of β-keto esters and silyl enol ethers with a benziodoxole reagent

Vita, Maria Victoria,Waser, Jerome

, p. 3246 - 3249 (2013/07/26)

The efficient azidation of β-keto esters and silyl enol ethers using a benziodoxole-derived azide transfer reagent is reported. The azidation of cyclic β-keto esters could be achieved in up to quantitative yields in the absence of any catalyst. In the case of less reactive linear β-keto esters and silyl enol ethers, complete conversion and good yields could be obtained by using a zinc catalyst.

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