29878-31-7

Basic information

• Product Name: 4-methyl-1H-benzotriazole
• Synonyms: 4-methyl-1H-benzotriazole;4-Methylbenzotriazole;4-methyl-1H-1,2,3-benzotriazole;7-Methyl-1H-benzotriazole;4-methyl-2H-benzotriazole;4-Methyl-1H-benzo[d][1,2,3]triazole;1H-Benzotriazole, 4-methyl-;4-Methyl-1H-benzotriazole98%
• CAS NO: 29878-31-7
• Molecular Formula: C₇H₇N₃
• Molecular Weight: 133.15058
• EINECS: 249-921-1
• Product Categories: Aromatics;Heterocycles;Inhibitors;Isotope Labelled Compounds
• Mol File: 29878-31-7.mol

Chemical Properties

• Melting Point: 139-143°C
• Boiling Point: 289.3 °C at 760 mmHg
• Flash Point: 137.4 °C
• Appearance: /
• Density: 1.273 g/cm³
• Storage Temp.: Room temperature.
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 8.74±0.40(Predicted)
• BRN: 119183
• CAS DataBase Reference: 4-methyl-1H-benzotriazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methyl-1H-benzotriazole(29878-31-7)
• EPA Substance Registry System: 4-methyl-1H-benzotriazole(29878-31-7)

Safety Data

• Hazard Codes: Xn
• Statements: 20/22-36-52/53
• Safety Statements: 26-61
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 29878-31-7(Hazardous Substances Data)

Usage

Uses

Used in Corrosion Inhibition:
4-Methyl-1H-benzotriazole is used as a corrosion inhibitor for various applications, including industrial processes and the protection of metals from corrosion. Its chemical properties make it an effective agent in preventing the degradation of metal surfaces, thus prolonging their lifespan and maintaining their structural integrity.
Used in Aircraft Deicing and Anti-icing Fluids (ADAFs):
In the aviation industry, 4-methyl-1H-benzotriazole is used as an additive in formulated aircraft deicing and anti-icing fluids. Its inclusion in these fluids helps to prevent the formation of ice on aircraft surfaces, ensuring safe and efficient flight operations during cold weather conditions.

InChI:InChI=1/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)

Upstream product

• 2687-25-4 3-methyl-1,2-benzenediamine 
• 624-91-9 methyl nitrite 
• 570-24-1 2-Methyl-6-nitroaniline 
• 602-01-7 1-methyl-2,3-dinitrobenzene 

Downstream Products

• 135080-58-9 2-<2-deoxy-3,5-di-O-(p-toluoyl)-β-D-erythro-pentofuranosyl>-4-methyl-2H-benzotriazole 
• 135080-59-0 1-<2-deoxy-3,5-di-O-(p-toluoyl)-β-D-erythro-pentofuranosyl>-7-methyl-1H-benzotriazole 
• 135080-57-8 1-<2-deoxy-3,5-di-O-(p-toluoyl)-β-D-erythro-pentofuranosyl>-4-methyl-1H-benzotriazole 

Relevant articles and documents

COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR

The present invention provides compounds of Formula (I) shown above and their pharmaceutically acceptable salt, solvates, isomers, or prodrugs, as well as pharmaceutical compositions containing these compounds. Also provided by the invention is a method for treating a disorder mediated by macrophage migration inhibitory factor in a subject, comprising administering to the subject in need thereof a compound or a pharmaceutical composition of this invention.

Preparation method of 4-methyl benzotriazole

The invention relates to a preparation method of 4-methyl benzotriazole. The preparation method comprises the following specific steps: (1) performing column separation of 2,3-diaminotoluene and 3,4-diaminotoluene; (2) in a reactor, reacting the 2,3-diaminotoluene in the step (1) with sodium nitrite; (3) dropwise adding sulfuric acid into the solution obtained in the step (2) and keeping the pH value at 5-6 to generate a large number of crystals; (4) performing liquid removal treatment on the mixture of the crystals and liquid obtained in the step (3); (5) heating the crystals obtained in the step (4) for dehydration; and (6) distilling the crystals obtained in the step (5) to obtain the 4-methyl benzotriazole. The preparation method provided by the invention has the following advantages that the 2,3-diaminotoluene and 3,4-diaminotoluene in the raw materials are separated through column separation, the purity of the raw materials is increased, thus the purity of the product is increased.

Visible-light-mediated C2-amination of thiophenes by using DDQ as an organophotocatalyst

In this work, a direct C-H activation of thiophenes was presented via an oxidation pathway under visible-light irradiation, in which the thiophene radical cation serves as the key intermediate. Various thiophenes and azoles could be transformed into the corresponding amination products well, and H2O was the only byproduct which is environmentally benign. Our results showed that tert-butyl nitrite (TBN) served as the electron transfer mediator and O2 as the terminal oxidant to regenerate the photocatalyst DDQ and revive the photocatalytic cycle.

INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME

Herein, we describe a method for treatment of diabetes and other disorders classified as Metabolic Syndrome. The invention provides novel AMP Deaminase (AMPD) inhibitors comprising novel indazole and benzotriazole derivatives including a phosphorous containing derivative, a carboxylic acid, or an amino acid ester prodrug. The invention also provides support for a novel mechanism of action for the existing drug metformin: direct inhibition of the enzyme AMPD. The inhibition of AMPD in turn activates AMP Kinase, known to be linked to the action of metformin. The invention also makes novel use of a double inhibitor assay allowing identification of selective AMPD inhibitors over ADA inhibitors. The new inhibitors, structurally distinct from metformin, offer selectivity that may obviate side effects known for metformin itself, providing new benefits for diabetes and Metabolic Syndrome.

Process for the preparation of fused 1,2,3-triazoles

An improved process for the preparation of fused 1,2,3-triazoles by reaction of an ortho-diaminoaryl with an ester of nitrous acid in a soluent or diluent is disclosed wherein the process is catalyzed by the use of a 1,2,3-triazole.