6280-28-0

Basic information

• Product Name: Isopropyl Tetrazole
• Synonyms: Isopropyl Tetrazole;5-isopropyl-1H-tetrazole(SALTDATA: FREE);5-isopropyl-1H-tetrazole
• CAS NO: 6280-28-0
• Molecular Formula: C₄H₈N₄
• Molecular Weight: 112.13312
• Mol File: 6280-28-0.mol
• Article Data: 6

Chemical Properties

• Melting Point: 113-114 °C
• Boiling Point: 229.2°C at 760 mmHg
• Flash Point: 102.5°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 0.0703mmHg at 25°C
• Refractive Index: 1.509
• PKA: 5.00±0.10(Predicted)
• CAS DataBase Reference: Isopropyl Tetrazole(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropyl Tetrazole(6280-28-0)
• EPA Substance Registry System: Isopropyl Tetrazole(6280-28-0)

Safety Data

• Hazardous Substances Data: 6280-28-0(Hazardous Substances Data)

Usage

General Description

Isopropyl tetrazole is a chemical compound with the formula C5H10N4. It is a white crystalline solid that is highly soluble in water and organic solvents. Isopropyl tetrazole is primarily used as a corrosion inhibitor in industrial applications, particularly in the oil and gas industry to protect metal surfaces from degradation. It is also used as a stabilizer in the formulation of energetic materials, such as propellants and explosives. Additionally, isopropyl tetrazole has been studied for its potential pharmaceutical and medical applications, including as an antiviral and anticancer agent. Overall, it is a versatile compound with a wide range of potential uses in various industries.

InChI:InChI=1/C4H8N4/c1-3(2)4-5-7-8-6-4/h3H,1-2H3,(H,5,6,7,8)

Upstream product

• 78-82-0 Isobutyronitrile 
• 100-58-3 phenylmagnesium bromide 
• 183015-32-9 1-[1-Methyl-1-(1H-tetrazol-5-yl)-ethyl]-1H-benzotriazole 
• 4294-57-9 para-methylphenylmagnesium bromide 

Downstream Products

• 114064-92-5 (5-Isopropyl-tetrazol-2-yl)-phenyl-methanone oxime 
• 114006-47-2 (5-Isopropyl-tetrazol-1-yl)-phenyl-methanone oxime 
• 114065-14-4 N'-[1-(5-Isopropyl-tetrazol-2-yl)-2,2-dimethyl-prop-(Z)-ylidene]-phosphorohydrazidic acid diphenyl ester 
• 114064-61-8 N'-[1-(5-Isopropyl-tetrazol-1-yl)-2,2-dimethyl-prop-(Z)-ylidene]-phosphorohydrazidic acid diphenyl ester 

Relevant articles and documents

A 5 - substituted four nitrogen azole compound of synthetic method (by machine translation)

The invention discloses a 5 - substituted four nitrogen azole compound of synthetic method, the synthesis method of the process is as follows: to point pen in the autoclave (I) indicated by the nitrile compounds, sodium azide, nickel ferrite and carboxylic acid ammonium ion exchange resin, added with an organic solvent to the cyclization reaction, the reaction solution after the reaction is finished filter, pickling, desolvation and heavy after crystallization, as shown in formula (II) of the 5 - substituted tetrazole compounds, yield is 85 - 95%, purity ≥ 99%; Formula (I) in the formula (II), the substituent R1 Is phenyl, substituted phenyl, C1 - C3 alkyl or amino; substituted phenyl substituent is methyl, methoxy, F or nitro. The invention of 5 - substituted tetrazole compounds synthesis method, adopt the catalytic ferrous acid nickel and carboxylic acid ammonium ion exchange resin catalyst combination, the carboxylic acid [...], not only good general the reaction substrate, the reaction yield is high, and the catalyst is easily separated and recycled, the production cost is reduced and the three waste emissions. (by machine translation)

NMR study of the tautomeric behavior of N -(α-Aminoalkyl)tetrazoles

N-(α-Aminoalkyl)tetrazoles exist in solution as equilibrium mixtures of N1 and N2 tautomers. The position of equilibrium depends significantly on the polarity of the solvent and the substituents in the tetrazole ring. Interconversion between individual tautomers is shown to proceed via tight ion-pair intermediates in which intramolecular recombination is faster than the intermolecular crossover since the latter probably requires solvent separation of ion-pair intermediates.

tris(2-Perfluorohexylethyl)tin azide: A new reagent for preparation of 5-substituted tetrazoles from nitriles with purification by fluorous/organic liquid-liquid extraction

Summary: The synthesis of a new fluorous tin azide, (C6F13CH2CH2)3SnN3, is reported and this reagent is used to make tetrazoles in both traditional and phase-switching modes. In the traditional mode, the tin azide is reacted with nitriles followed by HCl cleavage to provide the tetrazoles and the fluorous tin chloride (which can be reconverted into the tin azide). In the switching mode, the initial tin tetrazole is purified by fluorous/organic liquid-liquid extraction prior to destannylation. This provides pure products even in incomplete reactions or with impure starting materials, but it only works for smaller nitriles.