43131-48-2

Basic information

• Product Name: 2-methyl-5-(4-nitrophenyl)-2H-tetrazole
• Synonyms: 2H-tetrazole, 2-methyl-5-(4-nitrophenyl)-; 2-Methyl-5-(4-nitrophenyl)-2H-tetrazole
• CAS NO: 43131-48-2
• Molecular Formula: C₈H₇N₅O₂
• Molecular Weight: 205.1735
• Mol File: 43131-48-2.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 410°C at 760 mmHg
• Flash Point: 201.8°C
• Density: 1.53g/cm³
• Vapor Pressure: 6.22E-07mmHg at 25°C
• Refractive Index: 1.721
• CAS DataBase Reference: 2-methyl-5-(4-nitrophenyl)-2H-tetrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 2-methyl-5-(4-nitrophenyl)-2H-tetrazole(43131-48-2)
• EPA Substance Registry System: 2-methyl-5-(4-nitrophenyl)-2H-tetrazole(43131-48-2)

Safety Data

• Hazardous Substances Data: 43131-48-2(Hazardous Substances Data)

Upstream product

• 75-91-2 tert.-butylhydroperoxide 
• 16687-60-8 5-(4-nitrophenyl)-2H-tetrazole 
• 619-72-7 4-nitrobenzonitrile 
• 38127-55-8 4-nitrobenzaldehyde methylhydrazone 
• 555-16-8 4-nitrobenzaldehdye 
• 16687-60-8 5-(4-nitrophenyl)-1H-1,2,3,4-tetrazole 
• 616-38-6 carbonic acid dimethyl ester 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 

Downstream Products

• 436092-89-6 4-(2-methyl-2H-tetrazol-5-yl)aniline 
• 120819-58-1 C₉H₁₀N₅O₂⁽¹⁺⁾*CH₃O₄S^(1-) 

Relevant articles and documents

Bu4NI-Catalyzed, Radical-Induced Regioselective N-Alkylations and Arylations of Tetrazoles Using Organic Peroxides/Peresters

Bu4NI-catalyzed regioselective N2-methylation, N2-Alkylation, and N2-Arylation of tetrazoles have been achieved using tert-butyl hydroperoxide (TBHP) as the methyl source, alkyl diacyl peroxides as the primary alkyl source, alkyl peresters as the secondary and tertiary alkyl sources, and aryl diacyl peroxides as the arylating source. These reactions proceed without pre-functionalization of tetrazole and in the absence of any metal catalysts. Here, peroxides serve the dual role of oxidants as well as alkylating or arylating agents. Based on DFT calculations, it was found that spin density, transition-state barriers (kinetic control), and thermodynamic stability of the products (thermodynamic control) play essential roles in the observed regioselectivity during N-Alkylation. This radical-mediated process is amenable to a broad range of substrates and provides products in moderate to good yields.

Pyrimidinoindole compound as well as preparation method and application thereof

The invention relates to the technical field of medicine chemistry and in particular to a pyrimidinoindole compound as well as a preparation method and application thereof. The invention mainly relates to synthesis of a pyrimidinoindole-containing compoun

An Environmentally Friendly Method for N-Methylation of 5-Substituted 1H-Tetrazoles with a Green Methylating Reagent: Dimethyl Carbonate

An environmentally friendly method was established for the N-methylation of the 5-substituted 1H-tetrazoles with a green reagent: DMC. DABCO was the optimal catalyst, and hazardous chemicals were avoided in this protocol. A plausible catalytic mechanism is proposed, which consists of a DABCO-activated process and a thermally induced rearrangement of tetrazole carbamates.