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PHENYL AZIDE is an organic compound that is known for its ability to undergo a click reaction with alkyne-functionalized oligomers, resulting in the formation of O-ester-functionalized o-phenylenes. These aromatic foldamers exhibit a good folding tendency in most solvents, making PHENYL AZIDE a versatile compound in various applications.

622-37-7

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622-37-7 Usage

Uses

Used in Greener Solvent Applications:
PHENYL AZIDE is used as a component in the greener solvent 2-methyltetrahydrofuran (2-MeTHF), which has a broad application in organic chemistry. This solvent is derived from biomass, making it an environmentally friendly alternative to traditional solvents.
Used in Organic Chemistry:
PHENYL AZIDE is used as a reactant in organic chemistry for the formation of O-ester-functionalized o-phenylenes through click reactions with alkyne-functionalized oligomers. These aromatic foldamers have potential applications in various fields due to their good folding tendency in most solvents.
Used in Material Science:
The formation of O-ester-functionalized o-phenylenes using PHENYL AZIDE can be applied in material science for the development of new materials with specific properties, such as improved folding tendencies and potential applications in various industries.

Synthesis Reference(s)

Journal of the American Chemical Society, 89, p. 5284, 1967 DOI: 10.1021/ja00996a036Tetrahedron Letters, 27, p. 4749, 1986 DOI: 10.1016/S0040-4039(00)85055-8

Safety Profile

Explodes when heated.Explosive or violent reactions with Lewis acids [e.g., aluminum chloride (explosive); sulfuric acid (violent)]. When heated to decomposition it emits toxic fumes of NOx.

Check Digit Verification of cas no

The CAS Registry Mumber 622-37-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 2 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 622-37:
(5*6)+(4*2)+(3*2)+(2*3)+(1*7)=57
57 % 10 = 7
So 622-37-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H6N3/c7-9-8-6-4-2-1-3-5-6/h1-5,7H/q+1

622-37-7 Well-known Company Product Price

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  • Aldrich

  • (727490)  Azidobenzenesolution  ~0.5 M in tert-butyl methyl ether, ≥95.0%

  • 622-37-7

  • 727490-10ML

  • 1,353.69CNY

  • Detail
  • Aldrich

  • (727490)  Azidobenzenesolution  ~0.5 M in tert-butyl methyl ether, ≥95.0%

  • 622-37-7

  • 727490-50ML

  • 5,365.62CNY

  • Detail
  • Aldrich

  • (778583)  Azidobenzenesolution  ~0.5 M in 2-methyltetrahydrofuran, ≥95.0% (HPLC)

  • 622-37-7

  • 778583-10ML

  • 1,242.54CNY

  • Detail
  • Aldrich

  • (778583)  Azidobenzenesolution  ~0.5 M in 2-methyltetrahydrofuran, ≥95.0% (HPLC)

  • 622-37-7

  • 778583-50ML

  • 4,837.95CNY

  • Detail

622-37-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Phenyl azide

1.2 Other means of identification

Product number -
Other names diazoaminobenzene

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:622-37-7 SDS

622-37-7Relevant academic research and scientific papers

Hybrid Pyrazolyl-1,2,3-Triazolyl Tripodal Tetraamine Ligands: Click Synthesis and Cobalt(III) Complexes

Cubanski, John R.,Reish, Matthew E.,Blackman, Allan G.,Steel, Peter J.,Gordon, Keith C.,McMorran, David A.,Crowley, James D.

, p. 1160 - 1170 (2015)

A family of tripodal tetraamine ligands incorporating two pyrazolyl and one 1,2,3-triazolyl donor arm have been synthesized in modest-to-excellent yields (42-90%) using the copper(i)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction. Mono-, bis-, and tris-tripodal ligand scaffolds were readily generated using this method. The coordination chemistry of the ligands with cobalt(iii) ions has been studied, and cobalt(iii) carbonato complexes of the ligands have been isolated and characterized spectroscopically and crystallographically. X-ray crystallography and NMR spectroscopy of the mono-metallic complexes showed that racemic mixtures of the cis-isomer are formed selectively. The di- and tri-metallic systems could not be crystallized, but NMR spectroscopy indicates that these compounds were isolated as mixtures of stereoisomers.

A simple copper-catalysed tandem cyclisation of ynamides leading to triazolo-1,2,4-benzothiadiazine-1,1-dioxides in PEG-400 medium

Reddy, Alla Siva,Reddy, M. Nagarjuna,Swamy, K. C. Kumara

, p. 28359 - 28367 (2014)

An efficient one-pot approach for the synthesis of fused triazolo 1,2,4-benzothiadiazine-1,1-dioxide derivatives from functionalised ynamides and sodium azide in the presence of CuI using PEG-400 as the medium is described. The cyclisation process involves intermolecular C-N bond formation and subsequent cycloaddition between ynamide and azide. Thus three new C-N bonds are formed in a single step. It is also demonstrated that the triazole ring in triazolo-1,2,4-benzothiadiazine-1,1-dioxide can be readily decyclised in the presence of glacial acetic acid with the elimination of molecular nitrogen.

Pyridyl-Functionalised 3H-1,2,3,4-Triazaphospholes: Synthesis, Coordination Chemistry and Photophysical Properties of Low-Coordinate Phosphorus Compounds

Sklorz, Julian A. W.,Hoof, Santina,Rades, Nadine,Derycke, Nicolas,K?ncz?l, Lászl?,Szieberth, Dénes,Weber, Manuela,Wiecko, Jelena,Nyulászi, Lászl?,Hissler, Muriel,Müller, Christian

, p. 11096 - 11109 (2015)

Novel conjugated, pyridyl-functionalised triazaphospholes with either tBu or SiMe3 substituents at the 5-position of the N3PC heterocycle have been prepared by a [3+2] cycloaddition reaction and compared with structurally related, triazole-based systems. Photoexcitation of the 2-pyridyl-substituted triazaphosphole gives rise to a significant fluorescence emission with a quantum yield of up to 12 %. In contrast, the all-nitrogen triazole analogue shows no emission at all. DFT calculations indicate that the 2-pyridyl substituted systems have a more rigid and planar structure than their 3- and 4-pyridyl isomers. Time-dependent (TD) DFT calculations show that only the 2-pyridyl-substituted triazaphosphole exhibits similar planar geometry, with matching conformational arrangements in the lowest energy excited state and the ground state; this helps to explain the enhanced emission intensity. The chelating P,N-hybrid ligand forms a ReI complex of the type [(N^N)Re(CO)3Br] through the coordination of nitrogen atom N2 to the metal centre rather than through the phosphorus donor. Both structural and spectroscopic data indicate substantial π-accepting character of the triazaphosphole, which is again in contrast to that of the all-nitrogen-containing triazoles. The synthesis and photophysical properties of a new class of phosphorus-containing extended π systems are described. Mix and match: Hitherto unknown pyridyl-functionalized triazaphospholes have been synthesized by a [3+2] cycloaddition reaction starting from phosphaalkynes and pyridyl-substituted azides (see figure). Both experiments and theoretical calculations established these compounds as novel π-conjugated organophosphorus derivatives for future optoelectronic applications.

Nickel Boride Catalyzed Reductions of Nitro Compounds and Azides: Nanocellulose-Supported Catalysts in Tandem Reactions

Proietti, Giampiero,Prathap, Kaniraj Jeya,Ye, Xinchen,Olsson, Richard T.,Dinér, Peter

supporting information, p. 133 - 146 (2021/11/04)

Nickel boride catalyst prepared in situ from NiCl2 and sodium borohydride allowed, in the presence of an aqueous solution of TEMPO-oxidized nanocellulose (0.01 wt%), the reduction of a wide range of nitroarenes and aliphatic nitro compounds. Here we describe how the modified nanocellulose has a stabilizing effect on the catalyst that enables low loading of the nickel salt pre-catalyst. Ni-B prepared in situ from a methanolic solution was also used to develop a greener and facile reduction of organic azides, offering a substantially lowered catalyst loading with respect to reported methods in the literature. Both aromatic and aliphatic azides were reduced, and the protocol is compatible with a one-pot Boc-protection of the obtained amine yielding the corresponding carbamates. Finally, bacterial crystalline nanocellulose was chosen as a support for the Ni-B catalyst to allow an easy recovery step of the catalyst and its recyclability for new reduction cycles.

Immobilization of vitamin B1 on the magnetic dialdehyde starch as an efficient carbene-type support for the copper complexation and its catalytic activity examination

Abbaspour, M.,Mohammadi Ziarani, G.,Rafiee, F.

, (2021/11/16)

Since the starch biopolymer is an available and inexpensive matrix with modifiable functionality and stabilization capability for metal ions, in this report, we oxidized it to dialdehyde form for the further functionalization with vitamin B1 as a green σ-donor and π-acceptor carbene type ligand. Immobilization of vitamin B1 on this biopolymer was done through imine bond formation between NH2 groups of aminopyrimidine segment of vitamin B1 and aldehyde functional groups of starch oxide. Thiazolium heterocycle part in this biomolecule provided a carbene type precursor for the metal complexation. After the magnetization process by using of Fe3O4 nanoparticles that lead to quick and facile magnetic separation and metal catalyst recycling, copper ions immobilized on the magnetic support (5.9 wt% Cu, 0.93 mmol/g). The prepared copper N-heterocyclic carbene complex (Fe3O4@DAS@VB1@CuCl nanocomposite) was characterized by FT-IR, SEM, EDX, XRD, VSM, TGA and ICP-OES analysis and then its catalytic activity investigated in azidonation of arylboronic acids and also one-pot coupling reaction of the synthesized aryl azides with phenylacetylene. 1,4-Diaryl 1,2,3-triazoles were obtained in excellent yields (≥90%) at proper reaction times (30–200 min). The magnetic catalyst was recovered by a magnetic field and reused in azidation reaction up to 7 cycle.

Homogeneous catalyst containing Pd in the reduction of aryl azides to primary amines

Aydinli, E.,Cantopcu, E.,Goksu, H.

, (2022/03/17)

Abstract: Commercially available dichloro[2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]palladium(II) (BINAP.PdCl2) homogeneous catalyst was used for the reduction of aryl azides to primary amines. The reactions were carried out in water and yields above 95% were obtained in a short time. Sodium borohydride was used as the reducing reagent. A number of aryl azide derivatives have been converted into primary amines, thanks to the hydrogen gas released by sodium borohydride with the help of water and catalyst. Graphical Abstract: [Figure not available: see fulltext.] Synopsis Commercially available dichloro[2,2′-bis(diphenylphosphino)-1,1′-binaphthyl]palladium(II) (BINAP.PdCl2) homogeneous catalyst was used for the reduction of aryl azides to primary amines. The reactions were carried out in water and yields above 95% were obtained in a short time. Sodium borohydride was used as the reducing reagent. A number of aryl azide derivatives have been converted into primary amines, thanks to the hydrogen gas released by sodium borohydride with the help of water and catalyst.

Iron-mediated desulphurization approach: synthesis of cyanamides and their conversions

Nannapaneni, Madhavi,Pendem, Venkata Bhavanarushi,Tamminana, Ramana

, (2022/01/12)

The iron-mediated efficient multi-component method has been demonstrated for the synthesis of substituted cyanamides from isothiocyanates under mild reaction conditions. Subsequent nucleophilic addition and desulfurization are involved in this proposed synthetic methodology. All the reactions are rapid, facile, and accomplished at room temperature. A variety of substrates readily underwent the optimized reaction conditions to provide their respective target products in good to excellent yields. Furthermore, we have confirmed that no other by-products could be identified during our experimental reaction process. Graphical abstract: Iron-mediated efficient multi-component method has been demonstrated for the synthesis of substituted cyanamides from isothiocyanates under mild reaction conditions. Subsequent nucleophilic addition and desulfurization are involved in this proposed synthetic methodology.[Figure not available: see fulltext.].

Structural and Activity Relationships of 6-Sulfonyl-8-Nitrobenzothiazinones as Antitubercular Agents

Chiarelli, Laurent R.,Fan, Dongguang,Han, Quanquan,Lu, Yu,Qiao, Chunhua,Shi, Rui,Stelitano, Giovanni,Wang, Bin,Huszár, Stanislav,Miku?ová, Katarína,Savková, Karin

supporting information, p. 14526 - 14539 (2021/10/26)

The benzothiazinone (BTZ) scaffold compound PBTZ169 kills Mycobacterium tuberculosis by inhibiting the essential flavoenzyme DprE1, consequently blocking the synthesis of the cell wall component arabinans. While extraordinarily potent against M. tuberculosis with a minimum inhibitory concentration (MIC) less than 0.2 ng/mL, its low aqueous solubility and bioavailability issues need to be addressed. Here, we designed and synthesized a series of 6-methanesulfonyl substituted BTZ analogues; further exploration introduced five-member aromatic heterocycles as linkers to attach an aryl group as the side chain. Our work led to the discovery of a number of BTZ derived compounds with potent antitubercular activity. The optimized compounds 6 and 38 exhibited MIC 47 and 30 nM, respectively. Compared to PBTZ169, both compounds displayed increased aqueous solubility and higher stability in human liver microsomes. This study suggested that an alternative side-chain modification strategy could be implemented to improve the druglike properties of the BTZ-based compounds.

Design, Synthesis and Evaluation of a Series of 1,5-Diaryl-1,2,3-triazole-4-carbohydrazones as Inhibitors of the YAP-TAZ/TEAD Complex

Gibault, Floriane,Sturbaut, Manon,Coevoet, Mathilde,Pugnière, Martine,Burtscher, Ashley,Allemand, Frédéric,Melnyk, Patricia,Hong, Wanjin,Rubin, Brian P.,Pobbati, Ajaybabu V.,Guichou, Jean-Fran?ois,Cotelle, Philippe,Bailly, Fabrice

, p. 2823 - 2844 (2021/07/10)

Starting from our previously reported hit, a series of 1,5-diaryl-1,2,3-triazole-4-carbohydrazones were synthesized and evaluated as inhibitors of the YAP/TAZ-TEAD complex. Their binding to hTEAD2 was confirmed by nanodifferential scanning fluorimetry, an

Concise synthesis of: N -phosphorylated amides through three-component reactions

Yang, Shang-Dong,Zhang, Tao,Zhou, Linlin,Zhu, Yuan-Yuan

supporting information, p. 9417 - 9421 (2021/12/09)

N-Phosphorylated amides continue to be an unparalleled asset for the development of pharmaceutical molecules, and the importance of this framework has inspired researchers to look for concise and efficient methods for the synthesis of this unit. In this work, a new strategy was developed in which a one-pot synthesis of N-phosphorylated amides was achieved by a three-component reaction with carboxylic acids, phosphorus chlorides and azides under mild reaction conditions. To our knowledge, this is the first study in which this framework was constructed through a multicomponent reaction, which is innovative, efficient and economical. This journal is

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