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3-(4-Chlorophenyl)isoxazole is a chemical compound characterized by the molecular formula C9H6ClNO. It is an isoxazole derivative featuring a 4-chlorophenyl group attached to the isoxazole ring. 3-(4-CHLOROPHENYL)ISOXAZOLE serves as a crucial building block in the synthesis of pharmaceuticals and agrochemicals, and is also utilized as a research chemical for the development of novel drugs. The presence of the 4-chlorophenyl group on the isoxazole ring endows 3-(4-CHLOROPHENYL)ISOXAZOLE with potential applications in various therapeutic areas and in the creation of agrochemicals for crop protection, making it a versatile and significant compound in both the pharmaceutical and agrochemical industries.

31301-39-0

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31301-39-0 Usage

Uses

Used in Pharmaceutical Industry:
3-(4-Chlorophenyl)isoxazole is used as a key intermediate in the synthesis of various pharmaceuticals for its potential therapeutic applications. The 4-chlorophenyl group attached to the isoxazole ring provides a structural foundation that can be further modified to create drugs with specific biological activities.
Used in Agrochemical Industry:
In the agrochemical sector, 3-(4-Chlorophenyl)isoxazole is utilized as a building block for the development of new agrochemicals aimed at crop protection. Its chemical structure can be tailored to produce compounds with pesticidal properties, contributing to the enhancement of agricultural productivity and crop safety.
Used in Research and Development:
3-(4-Chlorophenyl)isoxazole also serves as a research chemical, facilitating the exploration and development of new drugs. Its unique structure allows scientists to investigate its interactions with biological targets, potentially leading to the discovery of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 31301-39-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,3,0 and 1 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 31301-39:
(7*3)+(6*1)+(5*3)+(4*0)+(3*1)+(2*3)+(1*9)=60
60 % 10 = 0
So 31301-39-0 is a valid CAS Registry Number.

31301-39-0 Well-known Company Product Price

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  • Aldrich

  • (JRD0213)  3-(4-Chlorophenyl)isoxazole  AldrichCPR

  • 31301-39-0

  • JRD0213-1G

  • 1,930.50CNY

  • Detail

31301-39-0SDS

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-(4-Chlorophenyl)isoxazole

1.2 Other means of identification

Product number -
Other names 3-(4-chlorophenyl)-1,2-oxazole

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:31301-39-0 SDS

31301-39-0Relevant academic research and scientific papers

Rhodium(iii)-catalysed decarboxylative C-H functionalization of isoxazoles with alkenes and sulfoxonium ylides

Morita, Taiki,Nakamura, Hiroyuki,Yugandar, Somaraju

supporting information, p. 8625 - 8628 (2020/11/13)

Decarboxylative C-H functionalization of isoxazoles with electron-deficient alkenes and sulfoxonium ylides at the C5 position was achieved in the presence of rhodium(iii) catalysts to give the corresponding alkenylation and acylmethylation products, respe

Preparation method of isoxazole derivative

-

Paragraph 0066-0071, (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

Rhodium(iii)-catalysed carboxylate-directed C-H functionalizations of isoxazoles with alkynes

Yugandar, Somaraju,Nakamura, Hiroyuki

supporting information, p. 8382 - 8385 (2019/07/22)

An efficient oxidative [4+2] annulation of isoxazolyl-4-carboxylic acids with internal alkynes proceeded in the presence of the [Cp?RhCl2]2 catalyst. Oxidants controlled the formation of pyranoisoxazolones and isoquinolines. A decarb

Palladium-Catalyzed Direct C-H Arylation of Isoxazoles at the 5-Position

Shigenobu, Masashi,Takenaka, Kazuhiro,Sasai, Hiroaki

supporting information, p. 9572 - 9576 (2015/08/11)

A palladium-catalyzed direct arylation of isoxazoles with aryl iodides has been achieved. The C-H bond at the 5-position is activated selectively to give coupling products in moderate to good yields. This direct arylation was applied to the synthesis of a spiro-type chiral ligand, which proved to be most effective to the palladium-catalyzed tandem cyclization of a dialkenyl alcohol.

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.

Polymer-supported vinyl sulfone as an efficient reagent for the synthesis of 3-monosubstituted isoxazoles

Wu, Guo-Jian,Sheng, Shou-Ri,Li, Dan,Xu, Li-Fan,Huang, Zhen-Zhong

, p. 3034 - 3043 (2013/09/12)

Polystyrene-supported vinyl sulfone reagent has been developed and used for solid-phase organic synthesis of 3-monosubstituted isoxazoles by 1,3-dipolar cycloaddition reaction with nitrile oxides and subsequent cleavage from the polymer support through an

A novel synthesis of N-unsubstituted β-enamino thioesters from 3-arylisoxazoles and 3-aryl-5-phenylthio-2-isoxazolines

Vitale, Paola,Di Nunno, Leonardo,Scilimati, Antonio

experimental part, p. 3195 - 3203 (2010/10/21)

A novel procedure for the synthesis of N-unsubstituted β-enamino thioesters, (Z)-S-phenyl 3-amino-3-arylprop-2-enethioates, from 3-arylisoxazoles or 3-aryl-5-phenylthio-2-isoxazolines is described and a plausible mechanism for the reaction is proposed. Some examples of conversion of one β-enamino thioester [(Z)-S-phenyl 3-amino-3-phenylprop-2-enethioate] into N-unsubstituted β-enaminoacyl derivatives (β-enamino esters, β-enamino amides, and β-keto amides) are also reported. Georg Thieme Verlag Stuttgart - New York.

Efficient and regioselective one-pot synthesis of 3-substituted and 3,5-disubstituted isoxazoles

Tang, Shibing,He, Jinmei,Sun, Yongquan,He, Liuer,She, Xuegong

supporting information; experimental part, p. 3982 - 3985 (2009/12/03)

(Figure Presented) A series of 3-substituted and 3,5-disubstituted isoxazoles have been efficiently synthesized in moderate to excellent yields by the reaction of N-hydroxyl-4-toluenesulfonamide with α,β-unsaturated aldehydes/ketones. This novel strategy is associated with readily available starting materials, mild conditions, high regioselectivity, and wide scope.

Effect of the aryl group substituent in the dimerization of 3-arylisoxazoles to syn 2,6-diaryl-3,7-diazatricyclo[4.2.0.02,5]octan-4,8-diones induced by LDA

Di Nunno, Leonardo,Vitale, Paola,Scilimati, Antonio

experimental part, p. 11198 - 11204 (2009/04/11)

3-Arylisoxazoles react with LDA in THF at 0 °C affording syn-2,6-diaryl-3,7-diazatricyclo[4.2.0.02,5]octan-4,8-diones (bis-azetidinones), via stereoselective dimerization of an azetinone anion intermediate. A?fragmentation reaction affording arylnitriles may compete with electronic and steric effects of the substituent present in the aryl group being pivotal in determining the outcome of this reaction. An interesting behaviour with LDA of arylnitriles arising from the fragmentation reaction of some 3-arylisoxazoles was also observed. N,N-Diisopropylaminobenzonitriles were in fact formed (plausibly via a benzyne mechanism) from 3-(4-chlorophenyl)isoxazole and 3-(2-chlorophenyl)isoxazole, whereas 3-(2-methylphenyl)isoquinolin-1-amine was isolated starting from 3-(2-methylphenyl)isoxazole and LDA.

Synthesis of azirines containing aldehyde functionality and their utilization as synthetic tools for five membered oxazoles and isoxazoles

Brahma, Sulagna,Ray, Jayanta K.

, p. 311 - 317 (2008/09/20)

(Chemical Equation Presented) A simple and useful procedure for the synthesis of azirines containing aldehyde functionality from open chain bromo/chloro-aldehydes at room temperature is reported. The scope of the ring expansion reaction of a number of 3-s

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