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[2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PHENYL]AMINE is a chemical compound belonging to the oxadiazole family, characterized by a molecular formula of C14H11N3O. It features a central oxadiazole ring with two phenyl groups attached, endowing it with unique structural and chemical properties. [2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PHENYL]AMINE holds promise for various applications in pharmaceuticals and materials science due to its potential to be a building block in synthesizing biologically active compounds and its molecular structure that may impart specific characteristics for use in materials like polymers and organic electronic devices.

40077-67-6

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40077-67-6 Usage

Uses

Used in Pharmaceutical Industry:
[2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PHENYL]AMINE is used as a building block for the synthesis of biologically active compounds, leveraging its unique structure to contribute to the development of new pharmaceutical agents.
Used in Materials Science:
In the field of materials science, [2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PHENYL]AMINE is utilized for its potential to enhance the properties of materials such as polymers and organic electronic devices, thanks to its specific molecular structure.

Check Digit Verification of cas no

The CAS Registry Mumber 40077-67-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,0,7 and 7 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 40077-67:
(7*4)+(6*0)+(5*0)+(4*7)+(3*7)+(2*6)+(1*7)=96
96 % 10 = 6
So 40077-67-6 is a valid CAS Registry Number.
InChI:InChI=1/C14H11N3O/c15-12-9-5-4-8-11(12)14-16-13(17-18-14)10-6-2-1-3-7-10/h1-9H,15H2

40077-67-6SDS

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 [2-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)PHENYL]AMINE

1.2 Other means of identification

Product number -
Other names 3-Phenyl-5-o-aminophenyl-1,2,4-oxadiazol

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:40077-67-6 SDS

40077-67-6Relevant academic research and scientific papers

Synthesis and Study of the Structure of Palladium(II) Acyclic Diaminocarbene Complexes Containing a 1,2,4-Oxadiazole Moiety

Baikov, S. V.,Kinzhalov, M. A.,Tarasenko, M. V.,Trukhanova, Yu. A.

, p. 1892 - 1900 (2020)

Abstract: The reaction of anilines containing a 1,2,4-oxadiazole moiety with thebis(xylylisocyanide) Pd(II) complex leads to the formation of acyclicdiaminocarbene complexes. The oxadiazole ring is not involved in the reaction.Composition and structure of the obtained complexes have been confirmed by meansof mass spectrometry, NMR spectroscopy, and single-crystal X-ray diffractionanalysis.

2-(1,2,4-Oxadiazol-5-yl)anilines Based on Amidoximes and Isatoic Anhydrides: Synthesis and Structure Features

Baykov, S. V.,Kotlyarova, V. D.,Shetnev, A. A.,Tarasenko, M. V.

, p. 768 - 778 (2021/06/26)

Abstract: An efficient one-pot method was developed for the synthesis of 2-(1,2,4-oxadiazol-5-yl)anilines via the reaction of amidoximes with isatoic anhydrides in a NaOH–DMSO medium at ambient temperature. The method allows to obtain structurally diverse

An Efficient Synthesis of 2-Substituted Quinazolin-4(3 H)-ones Catalyzed by Iron(III) Chloride

Mekala, Ramamohan,Akula, Raghunadh,Kamaraju, Raghavendra Rao,Bannoth, Chandrasekhar Kothapalli,Regati, Sridhar,Sarva, Jayaprakash

, p. 821 - 826 (2014/04/03)

A simple and highly efficient synthesis of 2-substituted quinazolin-4(3H)-ones by the iron(III) chloride catalyzed reaction of isatoic anhydride with various amidoxime derivatives was developed. Several aryl and alkyl amidoximes were screened to demonstra

Synthesis of benzoxazines, quinazolines and 4H-benzo[e][1,3]thiazine by ANRORC rearrangements of 1,2,4-oxadiazoles

Draghici, Bogdan,El-Gendy, Bahaa El-Dien M.,Katritzky, Alan R.

, p. 547 - 550 (2012/04/04)

1,2,4-Oxadiazoles undergo ANRORC (addition of nucleophile, ring-opening and ring-closure) rearrangements upon reaction with excess of n-butyllithium to give benzoxazines, benzothiazines, and quinazolines in good yields under mild conditions. Georg Thieme Verlag Stuttgart · New York.

The role of the hydrogen bonding in cycloadditions of benzonitrile oxide with cyanophenols

Corsaro, Antonino,Buemi, Giuseppe,Chiacchio, Ugo,Perrini, Giancarlo,Pistara, Venerando,Romeo, Roberto

, p. 7885 - 7892 (2007/10/03)

The reactivity of aromatic nitriles in cycloadditions with benzonitrile oxide is remarkably enhanced by the ortho-hydroxy substituent. Semiempirical PM3 calculations are in agreement with a hydrogen bonding effect.

Derivatives of Phenylurea as Antagonists of Mice, Rat, Guinea Pig, and Rabbit 5-HT3 Receptors

Hansen, John Bondo,Christensen, Birgitte,Weiss, Jan,Suzdak, Peter D.,Sheardown, Malcolm J.,et al.

, p. 308 - 315 (2007/10/03)

1,2,4-Oxadiazolyl- and O-alkyloximinomethyl-substituted phenylureas equipotently bind to 5-HT3 receptors from different species in vitro in contrast to the normal 10-100 fold lower affinity for guinea pig ileal receptors. Compared to the in vitro receptor

Preparation of phenyloxadiazolylanilines

-

, (2008/06/13)

Phenyloxadiazolylanilines are prepared by reaction of a benzonitrile in an aqueous reaction medium first with hydroxylamine or an acid addition salt thereof to give a benzamideoxime and then with an isatoic anhydride to give a non-cyclic compound and subsequent cyclization, the reaction sequence being carried out in the presence of an anionic surfactant.

Activation of Nitriles by Hydrogen Bonding in Cycloadditions with Nitrile Oxides

Corsaro, Antonino,Chiacchio, Ugo,Caramella, Pierluigi,Purrello, Giovanni

, p. 949 - 952 (2007/10/02)

The dipolarophilic activity of aromatic nitriles in cycloaddition with benzonitrile oxides is remarkably enhanced by ortho-acylamino substituents.The activation depends upon the solvent and can be ascribed to a hydrogen bond which assists cycloaddition.

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