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BENZOXAZOLE, 2-CHLORO-5-METHOXY-, with the molecular formula C8H6ClNO2, is a heterocyclic compound characterized by a benzene ring fused to an oxazole ring. This chemical compound is recognized for its diverse biological activities and is commonly utilized as a building block in the synthesis of pharmaceuticals and agrochemicals. Its antifungal, antibacterial, and anticancer properties render it a valuable intermediate in the development of new drugs. However, due to its potential hazards, it is crucial to handle this chemical with appropriate safety measures.

49559-34-4

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49559-34-4 Usage

Uses

Used in Pharmaceutical Industry:
BENZOXAZOLE, 2-CHLORO-5-METHOXYis used as a key intermediate in the synthesis of various pharmaceuticals for its antifungal, antibacterial, and anticancer properties. It contributes to the development of new drugs that target a wide range of health issues, from infections to cancer.
Used in Agrochemical Industry:
In the agrochemical sector, BENZOXAZOLE, 2-CHLORO-5-METHOXYis employed as a building block for the creation of compounds with pesticidal properties. Its antifungal and antibacterial activities are particularly beneficial in developing products that protect crops from diseases and pests, thereby enhancing agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 49559-34-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,9,5,5 and 9 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 49559-34:
(7*4)+(6*9)+(5*5)+(4*5)+(3*9)+(2*3)+(1*4)=164
164 % 10 = 4
So 49559-34-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H6ClNO2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3

49559-34-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-chloro-5-methoxy-1,3-benzoxazole

1.2 Other means of identification

Product number -
Other names 2-chloro-5-methoxy-benzooxazole

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:49559-34-4 SDS

49559-34-4Relevant academic research and scientific papers

SUBSTITUENT-INCLUDING UREA COMPOUND

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Paragraph 0777-0779, (2021/12/03)

An object of the present invention is to provide a compound that has a specific chemical structure having an activation effect on SIRT6 and is useful as an active component for preventing and treating inflammatory diseases. The present invention relates to a compound represented by Formula (1) or a pharmaceutically acceptable salt thereof. (Each symbol in Formula (1) has the same definition as that described in the specification.)

Preparation method of substituted benzoxazole derivative

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Paragraph 0025; 0026, (2018/03/24)

The invention discloses a preparation method of a substituted benzoxazole derivative, i.e., (1-(5-methoxybenzo[d]oxazole-2-yl)piperidin-4-yl)methylamine. According to the preparation method, 2-amino-4-methoxyphenol is taken as a starting raw material, and a target product is obtained by carrying out ring closing, chlorination, nucleophilic substitution, ammonolysis and reduction. The compound is an important medical intermediate.

OCTAHYDROPYRROLO [3, 4-c] PYRROLE DERIVATIVES AND USES THEREOF

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Paragraph 00205, (2017/07/04)

The invention relates to octahydropyrrolo [3, 4-c] pyrrole derivatives and uses thereof. Compounds and pharmaceutical compositions comprising the compounds provided herein are used for antagonizing orexin receptors. The invention also relates to processes for preparing the compounds and pharmaceutical compositions, and uses thereof in treating or preventing a disease related to orexin receptors.

Design and synthesis of 5,6-fused heterocyclic amides as Raf kinase inhibitors

Ramurthy, Savithri,Aikawa, Mina,Amiri, Payman,Costales, Abran,Hashash, Ahmad,Jansen, Johanna M.,Lin, Song,Ma, Sylvia,Renhowe, Paul A.,Shafer, Cynthia M.,Subramanian, Sharadha,Sung, Leonard,Verhagen, Joelle

supporting information; experimental part, p. 3286 - 3289 (2011/06/24)

Two scaffolds based on 5,6-fused heterocyclic backbones were designed and synthesized as Raf kinase inhibitors. The scaffolds were assessed for in vitro pan-Raf inhibition, activity in cell proliferation and target modulation assays, and pharmacokinetic p

Analgesic Compounds, Compositions, and Uses Thereof

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Page/Page column 21, (2011/10/04)

The invention relates to compounds, compositions, and methods for diminishing pain in a subject in need thereof comprising administering the compounds and compositions herein described.

Regulatory molecules for the 5-HT3 receptor ion channel gating system

Yoshida, Satoshi,Watanabe, Takashi,Sato, Yasuo

, p. 3515 - 3523 (2008/02/07)

Substituted benzoxazole derivatives which possess a nitrogen-containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor.

CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF

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Page/Page column 86, (2008/06/13)

The present invention relates to cyanoisoquinoline compounds suitable for use in treating hypoxia inducible factor-mediated and/or erythropoietin-associated conditions. The cyanoisoquinoline compounds of the invention have the following structure: Formula (I).

Substituted benzazoles and methods of their use as inhibitors of Raf kinase

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Page 114, (2008/06/13)

New substituted benz-azole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

Facile rearrangements of alkynylamino heterocycles with noble metal cations

Lok, Roger,Leone, Ronald E.,Williams, Antony J.

, p. 3289 - 3297 (2007/10/03)

A number of 2-(alkynylamino)-substituted heterocycles have been synthesized. These heterocycles rearrange in the presence of silver(I) and gold(I) salts to give novel 2H-pyrimido[2,1-b]benzoxazoles, 2H-pyrimido[2,1-b]benzothiazoles, and a 2H-pyrimido[2,1-b]benzoselenazole. Two of the the 2H-pyrimido[2,1-b]benzoxazoles were isolated in good yield. The kinetics of the silver tetrafluoroborate-catalyzed rearrangements of selected (alkynylamino)benzoxazoles and benzothiazoles have been examined by 1H NMR in CD3CN. Factors affecting the electron densities of the triple bond and of the nitrogen atom in the heterocycle are important in influencing the rate of rearrangement.

Benzoxazolamines and Benzothiazolamines: Potent, Enantioselective Inhibitors of Leukotriene Biosynthesis with a Novel Mechanism of Action

Lazer, Edward S.,Miao, Clara K.,Wong, Hin-Chor,Sorcek, Ronald,Spero, Denice M.,et al.

, p. 913 - 923 (2007/10/02)

A series of benzoxazolamine and benzothiazolamine analogs that inhibit leukotriene (LT) biosynthesis are described.The initial lead, (S)-N-(benzothiazol-2-yl)phenylalanine ethyl ester (5a), was discovered in a screening program for inhibition of Ca-ionophore-A23187-induced LTB4 release in human polymorphonuclear leukocytes (IC50 0.23 μM).Through structural modification, it was determined that hydrophobic substituents in the 5-position and replacement of the phenyl ring of phenylalanine with a cyclohexyl group greatly enhance potency.Several ester bioisosteres that retain potency and enantiomeric selectivity are described.Lead optimization culminated in (S)-N--5-methyl-2-benzoxazolamine (43b), IC50 0.001 μM.The compounds described are not inhibitors of 5-lipoxygenase but, rather, act at the level of arachidonic acid release.

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