27799-91-3

Basic information

• Product Name: 1H-BENZOTRIAZOLE, 5-METHOXY-
• Synonyms: 1H-BENZOTRIAZOLE, 5-METHOXY-;5-methoxy-1H-benzotriazole;6-Methoxy-1H-benzotriazole;5-Methoxy-1H-1,2,3-benzotriazole;5-Methoxy-1H-benzo[d][1,2,3]triazole;5-Methoxybenzotriazole;5-Methoxy-2H-benzotriazole
• CAS NO: 27799-91-3
• Molecular Formula: C₇H₇N₃O
• Molecular Weight: 149.15
• EINECS: 248-663-7
• Mol File: 27799-91-3.mol

Chemical Properties

• Melting Point: 126.8-127.2℃ (water )
• Boiling Point: 317.2 °C at 760 mmHg
• Flash Point: 116.3 °C
• Appearance: /
• Density: 1.327 g/cm³
• Vapor Pressure: 0.000391mmHg at 25°C
• Refractive Index: 1.658
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 8.08±0.40(Predicted)
• CAS DataBase Reference: 1H-BENZOTRIAZOLE, 5-METHOXY-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-BENZOTRIAZOLE, 5-METHOXY-(27799-91-3)
• EPA Substance Registry System: 1H-BENZOTRIAZOLE, 5-METHOXY-(27799-91-3)

Safety Data

• Hazardous Substances Data: 27799-91-3(Hazardous Substances Data)

Usage

Uses

Used in Chemical Industry:
1H-Benzotriazole, 5-methoxyis used as a reagent or intermediate in the synthesis of various organic compounds. Its unique chemical properties, such as enhanced reactivity and solubility, make it a valuable component in the development of new chemical processes and products.
Used in Pharmaceutical Industry:
1H-Benzotriazole, 5-methoxyis used as a building block or functional group in the design and synthesis of pharmaceutical compounds. Its ability to modify the properties of other molecules can contribute to the development of new drugs with improved efficacy and reduced side effects.
Used in Material Science:
1H-Benzotriazole, 5-methoxymay be used in the development of new materials with specific properties, such as enhanced stability, improved solubility, or unique optical or electronic characteristics. Its potential applications in material science can contribute to the advancement of various technologies and industries.
Used in Organic Synthesis:
1H-Benzotriazole, 5-methoxyis used as a key component in organic synthesis, where it can facilitate specific chemical reactions or improve the yield of desired products. Its unique properties can be harnessed to develop new synthetic routes and methodologies in organic chemistry.

InChI:InChI=1/C7H7N3O/c1-11-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)

Upstream product

• 5472-37-7 2'-amino-p-acetanisidide 
• 102-51-2 4-methoxy-1,2-phenylenediamine 
• 106658-14-4 4-methoxy-1,2-phenylenediamine hydrochloride 
• 33608-25-2 1-acetyl-5-methoxy-1H-benzo[1,2,3]triazole 

Downstream Products

• 1228885-20-8 2-(2,4-difluorophenyl)-1-(5-methoxy-1H-benzo[d][1,2,3]-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol 
• 108989-78-2 5-hydroxy-1H-benzotriazole-4-carboxylic acid anilide 

Relevant articles and documents

Rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles

A rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles via C-H bond activation is described. This transformation offers an alternative method for the hydroarylation of internal alkynes with high stereoselectivity. The reaction mechanism was discussed according to the deuterium-labeling experiments.

ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF

The present invention relates to novel aryloazol-2-yl-cyanoethylamino derivatives of formula (I): wherein R3, R4, R5, R6, R7, P, Q, V, W, X, Y, Z and a are as defined in the description, compositions thereof, processes for their preparation and their uses as pesticides.

ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF

The present invention relates to novel aryloazol-2-yl-cyanoethylamino derivatives substantially enriched in an enantiomer of formula (I): and compounds of formula (IH) wherein R3, R4, R5, R6, R7, R13a, R13b, R14a, R14b, P, Q, V, W, X, Y, Z and a are as defined in the description, compositions thereof, processes for their preparation and their uses as pesticides.

Design, synthesis and determination of antifungal activity of 5(6)-substituted benzotriazoles

In an effort to find inhibitors that are effective against both Candida and Aspergillus spp., a series of 5(6)-(un)substituted benzotriazole analogs, represented by compounds 3a-3h and 3b′-3f′, were prepared using a crystalline oxirane intermediate 1 previously synthesized in our laboratory. All the compounds were evaluated for inhibitory activity against various species of Candida and Aspergillus. Compounds 3b′ (5,6-dimethylbenzotriazol-2-yl derivative), 3d (5-chlorobenzotriazol-1-yl derivative) and 3e′ (6-methylbenzotriazol-1-yl derivative) exhibited potent antifungal activity, with the MICs for Candida spp. and Aspergillus niger, ranging from 1.6 μg/mL to 25 μg/mL and 12.5 μg/mL to 25 μg/mL, respectively. The present work describes the design, synthesis, regioisomer characterization (through COSY and NOESY 2D-NMR spectroscopy and single molecule X-ray crystallography), antifungal evaluation, molecular docking, and structure-activity relationships of the various 5(6)-(un)substituted benzotriazole analogs.