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3-Phenyl-2,1-benzisoxazole is a chemical compound with the molecular formula C13H9NO. It is a derivative of benzisoxazole, a heterocyclic aromatic ring system consisting of a benzene ring fused to an isoxazole ring. The phenyl group in 3-Phenyl-2,1-benzisoxazole is attached to the benzene ring, making it a substituted benzisoxazole. 3-Phenyl-2,1-benzisoxazole is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals due to its unique chemical structure and properties. It is typically synthesized through various chemical reactions and can be used as an intermediate in the preparation of more complex molecules. The compound is characterized by its stability, reactivity, and the ability to form various derivatives, making it a valuable building block in organic chemistry.

5176-14-7

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5176-14-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5176-14-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,7 and 6 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 5176-14:
(6*5)+(5*1)+(4*7)+(3*6)+(2*1)+(1*4)=87
87 % 10 = 7
So 5176-14-7 is a valid CAS Registry Number.

5176-14-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-phenyl-2,1-benzoxazole

1.2 Other means of identification

Product number -
Other names 2,1-Benzisoxazole,3-phenyl

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:5176-14-7 SDS

5176-14-7Relevant academic research and scientific papers

Metal-Free [3+2] Annulation of Ynamides with Anthranils to Construct 2-Aminoindoles

Zhang, Jingyi,Li, Ying,Zhang, Chaofeng,Wang, Xiao-Na,Chang, Junbiao

supporting information, p. 2029 - 2035 (2021/04/05)

A novel metal-free [3+2] annulation of ynamides with anthranils provides a facile, flexible, environmentally friendly, and atom-economical route to 2-aminoindoles. This synthetic process proceeds with efficiency, excellent regioselectivity, and wide functional group tolerance under mild conditions. Moreover, the obtained 2-aminoindole products represent a multifunctional platform for the construction of various 2-aminoindolyl frameworks.

Metal-Free Synthesis of Anthranils by PhIO Mediated Heterocyclization of ortho-Carbonyl Anilines

Garia, Alankrita,Grover, Jatin,Jain, Nidhi

, p. 4125 - 4131 (2021/08/24)

Here, we report a metal-free synthesis of anthranils from ortho-carbonyl anilines using PhIO as a sole additive under ambient conditions. This methodology did not require any external additives and delivered anthranils in excellent yields with broad substrate scope. The mechanistic studies suggest that the reaction proceeds via in-situ generation of iminoiodane leading to nitrene and a subsequent nucleophilic attack from oxygen of ortho-carbonyl aniline on nitrene results in heterocyclization.

TfOH-Promoted Decyanative Cyclization toward the Synthesis of 2,1-Benzisoxazoles

Zhang, Mengge,Meng, Yonggang,Wu, Yangang,Song, Chuanjun

, p. 7326 - 7332 (2021/06/25)

A novel solvent-free, TfOH-promoted decyanative cyclization approach for the synthesis of 2,1-benzisoxazoles has been developed. The reactions are complete instantly at room temperature and result in the formation of the desired 2,1-benzisoxazoles in a 34-97% isolated yield.

Practical Synthesis of Benzimidazo[1,2- A[quinolines via Rh(III)-Catalyzed C-H Activation Cascade Reaction from Imidamides and Anthranils

Hu, Yao,Wang, Ting,Liu, Yanzhao,Nie, Ruifang,Yang, Ninghong,Wang, Qiantao,Li, Guo-Bo,Wu, Yong

supporting information, p. 501 - 504 (2020/01/31)

We report a novel and practical one-pot Rh(III)-catalyzed strategy to construct benzimidazo[1,2-a]quinolines from readily available imidamides and anthranils. The cascade reaction proceeds via a C-H amination-cyclization-cyclization process in ionic liquid without any additives and possesses simple operation, moderate-to-high yield, and broad substrate scope features, which will provide the reference for the construction of biologically active fused benzimidazoles.

Metal-Free, Visible-Light-Enabled Direct C3-H Arylation of Anthranils

Adak, Tapas,Hashmi, A. Stephen K.,Hu, Chao,Li, Jun,Rudolph, Matthias

supporting information, (2020/07/24)

An eosin Y disodium salt-catalyzed photoredox C-H arylation of anthranils is reported. A variety of aryl diazonium tetrafluoroborates were used as aryl sources, providing the C3 cross-coupled products. The in situ generated reactive radicals were trapped by anthranils, providing an alternative method to transition-metal-catalyzed C-H arylations of anthranils. Gold-catalyzed downstream transformations demonstrate the synthetic potential of these valuable building blocks.

Synthesis of 3-phenylbenzo[c]isoxazoles by thermocyclization of 2-azidobenzophenones

Odinokov,Plekhovich,Budruev

, p. 1298 - 1300 (2019/07/15)

3-Phenylbenzo[c]isoxazoles were synthesized by non-catalytic thermolysis of 2-azidobenzophenones in dry xylene with quantitative yields. The trace content of water in solvents reduces the yields of the reaction products. 2-Azidobenzoic acid esters are sta

Gold(III)-Catalyzed Site-Selective and Divergent Synthesis of 2-Aminopyrroles and Quinoline-Based Polyazaheterocycles

Zeng, Zhongyi,Jin, Hongming,Rudolph, Matthias,Rominger, Frank,Hashmi, A. Stephen K.

supporting information, p. 16549 - 16553 (2018/11/23)

A facile, site-selective, and divergent approach to construct 2-aminopyrroles and quinoline-fused polyazaheterocycles enabled by a simple gold(III) catalyst from ynamides and anthranils under mild reaction conditions is described. This one-pot strategy uses readily available starting materials, proceeds in a highly step- and atom-economical manner, with broad substrate scope and scale-up potential. The key element for success in this tandem reaction is a catalyst-directed preferred quenching of the in situ generated gold carbene intermediates by a nucleophilic benzyl/2-furylmethyl moiety on the ynamides as an alternative to the known C?H annulation leading to indoles.

Cp*RhIII-Catalyzed Directed Amidation of Aldehydes with Anthranils

Debbarma, Suvankar,Sudan Maji, Modhu

, p. 3699 - 3706 (2017/07/22)

An approach towards construction of amide C–N bonds under mild conditions through rhodium(III) catalysis has been explored. Previous waste-free amidations were generally limited to the condensation of carboxylic acids and amines. In this report, we directly applied amination of the aldehyde C(sp2)–H bond to extend the scope of amidation reactions. The amination shows a wide substrates scope, and several important functional groups were tolerated under the benign reaction conditions. The synthesized amides are important precursors for the preparation of benzoxazinone derivatives, found in various bioactive natural products.q.

Gold-Catalyzed C-H Annulation of Anthranils with Alkynes: A Facile, Flexible, and Atom-Economical Synthesis of Unprotected 7-Acylindoles

Jin, Hongming,Huang, Long,Xie, Jin,Rudolph, Matthias,Rominger, Frank,Hashmi, A. Stephen K.

supporting information, p. 794 - 797 (2016/02/27)

The gold-catalyzed C-H annulation of anthranil derivatives with alkynes offers a facile, flexible, and atom-economical one-step route to unprotected 7-acylindoles. An intermediate α-imino gold carbene, generated by an intermolecular reaction, promotes ortho-aryl C-H functionalization to afford the target products. The transformation proceeds with a broad range of substrates under mild conditions. Moreover, the obtained functionalized indole products represent a versatile platform for the construction of diverse indolyl frameworks.

Synthesis of 3-Substituted 2,1-Benzisoxazoles by the Oxidative Cyclization of 2-Aminoacylbenzenes with Oxone

Chiarini, Marco,Del Vecchio, Luana,Marinelli, Fabio,Rossi, Leucio,Arcadi, Antonio

, p. 3017 - 3030 (2016/10/12)

An efficient approach to the synthesis of 2,1-benzisoxazoles through direct construction of the N-O bond by the chemoselective oxidation of 2-aminoacylbenzenes with Oxone is described. This alternative methodology is characterized by its simple and transition-metal-free conditions and good functional group compatibility utilizing Oxone as a green oxidant instead of hypervalent iodine compounds. Moreover, this new procedure simplifies the number of steps compared to the previously reported procedure by circumventing the use of 2-azido-substituted aryl ketones.

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