49559-83-3

Basic information

• Product Name: 5-methoxy-3H-benzooxazole-2-thione
• Synonyms: 5-methoxy-3H-benzooxazole-2-thione;2-Mercapto-5-methoxybenzo[d]oxazole, 5-Methoxy-2(3H)-benzoxazolethione;5-Methoxybenzoxazole-2-thiol;5-methoxybenzo[d]oxazole-2(3H)-thione;5-Methoxybenzoxazole-2-thiol 97%;5-methoxy-2(3H)-Benzoxazolethione;Esomeprazole Impurity 8;Omeprazole Impurity 55
• CAS NO: 49559-83-3
• Molecular Formula: C₈H₇NO₂S
• Molecular Weight: 181.21
• Mol File: 49559-83-3.mol

Chemical Properties

• Melting Point: 218-223 °C
• Boiling Point: 288.2°Cat760mmHg
• Flash Point: 128.1°C
• Appearance: /
• Density: 1.4g/cm³
• Vapor Pressure: 0.00237mmHg at 25°C
• Refractive Index: 1.67
• Storage Temp.: 2-8°C
• PKA: 10.92±0.20(Predicted)
• Sensitive: Moisture & Light Sensitive
• CAS DataBase Reference: 5-methoxy-3H-benzooxazole-2-thione(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methoxy-3H-benzooxazole-2-thione(49559-83-3)
• EPA Substance Registry System: 5-methoxy-3H-benzooxazole-2-thione(49559-83-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 49559-83-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Applications:
5-Methoxy-3H-benzooxazole-2-thione is used as a potential antimicrobial and antifungal agent due to its ability to inhibit the growth of various microorganisms, making it a candidate for the development of new drugs to combat infections.
Used in Organic Synthesis:
5-Methoxy-3H-benzooxazole-2-thione serves as a building block in the synthesis of other organic compounds, contributing to the creation of novel molecules with specific properties for various applications in the chemical industry.
Used in Material Science:
In the field of material science, 5-Methoxy-3H-benzooxazole-2-thione is used for its potential in developing materials with specific electronic or optical properties, which could be utilized in advanced technologies such as sensors, electronic devices, or optical components.
Used in Chemical Research:
5-Methoxy-3H-benzooxazole-2-thione is also utilized in chemical research to explore its unique properties and reactions, further expanding the understanding of its potential applications and interactions with other compounds.

InChI:InChI=1/C8H7NO2S/c1-10-5-2-3-7-6(4-5)9-8(12)11-7/h2-4H,1H3,(H,9,12)

Upstream product

• 140-89-6 potassium ethyl xanthogenate 
• 20734-76-3 2-amino-4-methoxyphenol 
• 67-56-1 methanol 
• 75-15-0 carbon disulfide 
• 32190-97-9 2-amino-4-methoxyphenol hydrochloride 
• 1568-70-3 4-methoxy-2-nitrophenol 
• 704-14-3 3-methoxy-6-nitro-phenol 

Downstream Products

• 49559-34-4 2-chloro-5-methoxybenzo[d]oxazole 
• 1269217-93-7 2-(phenylethynyl)-5-methoxybenzoxazole 
• 852511-38-7 2-ethylsulfanyl-5-methoxy-benzooxazole 
• 1312543-43-3 4-(2-(3-tert-butyl phenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide 
• 1312543-51-3 2-(3-tert-butylphenylamino)benzo[d]oxazol-5-ol hydrobromide 

Relevant articles and documents

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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

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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

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).

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Disclosed are novel piperazine derivatives that act as agonists of the α7 nAChR. Also disclosed are phannaceutical compositions, methods of treating inflammatory conditions, methods of treating CNS disorders, methods for inhibiting cytokine release from mammalian cells and methods for the preparation of the novel compounds.

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

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.

Benzoxazoline and benzimidazoline derivatives as novel aldose reductase inhibitors, part 2: Lead optimization

We designed novel aldose reductase inhibitors, benzoxazoline and benzimidazoline derivatives, based on lead evolution from spiroquinazolinones. In order to optimize in vivo activity in the lens, variously substituted derivatives were synthesized. The relationship between structure and in vitro activity was also analyzed by comparative molecular field analysis. The optimized compound exhibited high potency in the lens.

Facile rearrangements of alkynylamino heterocycles with noble metal cations

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.

Process for preparing nematicidal benzoxazole and benzthiazole compounds

A process for preparing a compound of formula (I) STR1 wherein X is oxygen or sulphur, by (a) reacting a substituted ortho-nitro or -nitroso phenol or a substituted ortho-nitro or -nitroso thiophenol with an alkali metal dithionite reducing agent in an alkaline reaction medium in the presence of carbon disulphide, to form a substituted 2-mercaptobenz-oxazole or -thiazole, acidifying the reaction mixture and collecting the 2-mercaptobenz-oxazole or -thiazole; and then (b) reacting the 2-mercaptobenz-oxazole or -thiazole with a compound of formula (IV) wherein L is a good leaving group.

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

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.