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4-IODO-5-METHYL-3-PHENYLISOXAZOLE is a chemical compound with the molecular formula C10H8IN2O. It is an isoxazole derivative characterized by a five-membered heterocyclic ring containing oxygen and nitrogen atoms. 4-IODO-5-METHYL-3-PHENYLISOXAZOLE features a methyl group at position 5, a phenyl group at position 3, and an iodine atom attached to the carbon at position 4. Its unique structure endows it with potential pharmaceutical applications, particularly in medicinal chemistry, where it serves as a building block for the synthesis of biologically active molecules. Furthermore, 4-IODO-5-METHYL-3-PHENYLISOXAZOLE has garnered attention for its antimicrobial and anticancer properties, positioning it as a promising candidate in the development of new drugs and treatments.

31295-66-6

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31295-66-6 Usage

Uses

Used in Pharmaceutical Industry:
4-IODO-5-METHYL-3-PHENYLISOXAZOLE is used as a building block for the synthesis of biologically active molecules due to its unique chemical structure and potential pharmaceutical applications in medicinal chemistry.
Used in Antimicrobial Applications:
4-IODO-5-METHYL-3-PHENYLISOXAZOLE is used as an antimicrobial agent for its ability to combat various microorganisms, contributing to the development of new treatments for infectious diseases.
Used in Anticancer Applications:
4-IODO-5-METHYL-3-PHENYLISOXAZOLE is used as an anticancer agent for its potential to inhibit the growth and progression of cancer cells, making it a subject of interest in the development of novel cancer therapies.

Check Digit Verification of cas no

The CAS Registry Mumber 31295-66-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,2,9 and 5 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 31295-66:
(7*3)+(6*1)+(5*2)+(4*9)+(3*5)+(2*6)+(1*6)=106
106 % 10 = 6
So 31295-66-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H8INO/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,1H3

31295-66-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-iodo-5-methyl-3-phenyl-1,2-oxazole

1.2 Other means of identification

Product number -
Other names 5-methyl-4-iodo-3-phenylisoxazole

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:31295-66-6 SDS

31295-66-6Upstream product

31295-66-6Relevant academic research and scientific papers

Preparation method of parecoxib sodium intermediate 5-methyl-3,4-diphenyl isoxazole

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Paragraph 0032; 0035-0036, (2018/07/06)

The invention relates to a preparation method of parecoxib sodium intermediate 5-methyl-3,4-diphenyl isoxazole. The preparation method comprises the following steps: step one, taking phenyl propinyl ketone as a starting material, firstly, carrying out condensation with methanol aminated hydrochloride to generate Z-type 1-phenyl-1-propinyl-3-methyl-oxime; step two, carrying out a cycloaddition reaction on the Z-type 1-phenyl-1-propinyl-3-methyl-oxime and iodine chloride to generate 3-phenyl-4-iodo-5-methyl isoxazole; and step three, carrying out a substitution reaction on the 3-phenyl-4-iodo-5-methyl isoxazole and phenylboronic acid to generate 5-methyl-3,4-diphenyl isoxazole.

The synthesis of highly substituted isoxazoles by electrophilic cyclization: An efficient synthesis of valdecoxib

Waldo, Jesse P.,Larock, Richard C.

, p. 9643 - 9647 (2008/03/17)

(Chemical Equation Presented) A large number of functionally substituted 2-alkyn-1-one O-methyl oximes have been cyclized under mild reaction conditions in the presence of ICl to give the corresponding 4-iodoisoxazoles in moderate to excellent yields. The resulting 4-iodoisoxazoles undergo various palladium-catalyzed reactions to yield 3,4,5-trisubstituted isoxazoles, including valdecoxib.

Synthesis of isoxazoles via electrophilic cyclization

Waldo, Jesse P.,Larock, Richard C.

, p. 5203 - 5205 (2007/10/03)

(Chemical Equation Presented) A variety of 3,5-disubstituted 4-halo(seleno)isoxazoles are readily prepared in good to excellent yields under mild reaction conditions by the reaction of 2-alkyn-1-one O-methyl oximes with ICI, I2, Br2,

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