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5-(4-Bromophenyl)isoxazole is an organic compound with the molecular formula C8H5BrNO and a molecular weight of 214.04 g/mol. It is a derivative of isoxazole, a heterocyclic compound containing a five-membered ring with one oxygen and one nitrogen atom. The 4-bromophenyl group is attached to the isoxazole ring, providing a bromine atom at the para position of the phenyl ring. 5-(4-BROMOPHENYL)ISOXAZOLE is often used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its unique chemical properties and reactivity. It is typically synthesized through a cyclization reaction involving a 1,3-dipole and an alkyne, and its structure can be confirmed using techniques such as NMR and mass spectrometry.

7064-31-5

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7064-31-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7064-31-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,0,6 and 4 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 7064-31:
(6*7)+(5*0)+(4*6)+(3*4)+(2*3)+(1*1)=85
85 % 10 = 5
So 7064-31-5 is a valid CAS Registry Number.
InChI:InChI=1/C31H34N6O3S2/c1-6-14-35-27(34-15-10-11-19(2)18-34)23(20(3)24(17-32)28(35)38)16-25-29(39)36(31(41)42-25)26-21(4)33(5)37(30(26)40)22-12-8-7-9-13-22/h7-9,12-13,16,19H,6,10-11,14-15,18H2,1-5H3

7064-31-5 Well-known Company Product Price

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  • Alfa Aesar

  • (H50342)  5-(4-Bromophenyl)isoxazole, 98%   

  • 7064-31-5

  • 1g

  • 718.0CNY

  • Detail
  • Alfa Aesar

  • (H50342)  5-(4-Bromophenyl)isoxazole, 98%   

  • 7064-31-5

  • 5g

  • 3254.0CNY

  • Detail

7064-31-5SDS

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 5-(4-bromophenyl)-1,2-oxazole

1.2 Other means of identification

Product number -
Other names 5-(p-Bromphenyl)-isoxazol

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:7064-31-5 SDS

7064-31-5Relevant academic research and scientific papers

Harnessing Stereospecific Z-Enamides through Silver-Free Cp?Rh(III) Catalysis by Using Isoxazoles as Masked Electrophiles

Debbarma, Suvankar,Bera, Sourav Sekhar,Maji, Modhu Sudan

, p. 835 - 839 (2019/01/26)

The stereospecific synthesis of Z-enamides is described in this paper. For the first time, isoxazoles have been employed as electrophiles in C-H functionalization to afford thermodynamically less stable Z-enamides utilizing salicylaldehydes in an atom- and step-economic fashion. The stereochemistry of enamides might originate from the relative disposition of atoms present in isoxazole and the intramolecular hydrogen bonding. The reaction showed excellent scope as several structurally and electronically diverse salicylaldehydes and isoxazoles reacted efficiently.

Preparation method of isoxazole derivative

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Paragraph 0060-0065, (2019/12/02)

The invention relates to a preparation method of an isoxazole derivative, which comprises the following steps of mixing an propargyl alcohol derivative, a halogen source, an acid and a solvent, and heating to react; adding the hydroxylamine into the react

A novel synthesis of 5-substituted isoxazoles from propargylic amines and N-hydroxyphthalimide

Zhang, Yicheng,Chen, Wei,Jia, Xueshun

supporting information, p. 2181 - 2183 (2018/05/08)

A mild and efficient method for the synthesis of 5-substituted isoxazoles through cyclization of propargylic amines with N-hydroxyphthalimide (NHPI) under metal-free conditions was developed.

TEMPO-catalyzed synthesis of 5-substituted isoxazoles from propargylic ketones and TMSN3

He, Yan,Xie, Yu-Yang,Wang, Ying-Chun,Bin, Xiao-Min,Hu, Da-Chao,Wang, Heng-Shan,Pan, Ying-Ming

, p. 58988 - 58993 (2016/07/06)

A novel and efficient TEMPO-catalyzed synthesis of 5-substituted isoxazoles from propargylic ketones and TMSN3via a radical mechanism process is described. This methodology provides an easy access to a variety of useful 5-substituted isoxazoles

Reactions of trans-1-(β-aroylvinyl)pyridinium bromides with hydroxylamine hydrochloride

Khachikyan, R. Dzh.,Hovakimyan,Panosyan,Tamazyan,Ayvazyan

, p. 1078 - 1081 (2015/06/25)

Reactions of trans-1-(β-aroylvinyl)pyridinium bromides with hydroxylamine hydrochloride lead to a mixture of substituted isoxazoles regardless of the substituent nature in the aromatic core and the solvent.

An efficient synthesis of isoxazoles and pyrazoles under ultrasound irradiation

Huang, Zhi-Bin,Li, Li-Li,Zhao, Yan-Wei,Wang, Hui-Yuan,Shi, Da-Qing

, p. E309-E313 (2014/11/07)

A series of 5-arylisoxazole and 5-aryl-1H-pyrazole derivatives was synthesized by the reaction of 3-(dimethylamino)-1-arylprop-2-en-1-one with hydroxylamine hydrochloride or hydrazine hydrate under ultrasound irradiation without using any catalyst. This m

Clean and efficient synthesis of isoxazole derivatives in aqueous media

Dou, Guolan,Xu, Pan,Li, Qiang,Xi, Yukun,Huang, Zhibin,Shi, Daqing

, p. 13645 - 13653 (2014/01/06)

A series of 5-arylisoxazole derivatives were synthesized via the reaction of 3-(dimethyl-amino)-1-arylprop-2-en-1-ones with hydroxylamine hydrochloride in aqueous media without using any catalyst. This method has the advantages of easier work-up, mild rea

Reaction of β-dimethylaminovinyl ketones with hydroxylamine: A simple and useful method for synthesis of 3- and 5-substituted isoxazoles

Rosa, Fernanda A.,Machado, Pablo,Bonacorso, Helio G.,Zanatta, Nilo,Martins, Marcos A. P.

, p. 879 - 885 (2008/09/21)

(Chemical Equation Presented) The regioselective synthesis of 3- and 5-substituted-isoxazoles from the reaction of β-dimethylaminovinyl ketones [R-C(O)CH=CH-NMe2, where R = Ph, MeO-4-C6H4, F-4-C6H4, C

Identification and optimisation of 5-amino-7-aryldihydro-1,4-diazepines as 5-HT2A ligands

Swain, Christopher J.,Teran, Ana,Maroto, Marta,Cabello, Angeles

, p. 6058 - 6062 (2007/10/03)

A several series of low molecular weight 5-HT2A leads were identified from an analysis of HTS data, the exploration of SAR and optimization of one series using parallel synthesis are described, affording compound 22 (5-HT2A IC50 1.1 nM).

SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES

-

, (2008/06/13)

Compounds of the formula STR1 inhibit the activity of endothelin. The symbols are defined as follows: R 1, R 2, R 3 and R 4 are each directly bonded to a ring carbon and are each independently(a) hydrogen;(b) alkyl, alkenyl, alkynyl, alkoxy,

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