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5-Benzyl-1H-tetrazole is an organic compound that belongs to the benzyl compounds and tetrazoles family. It has a molecular formula of C8H8N4, which means it is composed of 8 carbon atoms, 8 hydrogen atoms, and 4 nitrogen atoms. This versatile compound is widely recognized for its significant pharmaceutical and industrial applications, often serving as a synthetic intermediate. Its functional group allows for a variety of interactions with other molecules, making it a valuable component in the creation of drugs and other chemical products. Due to its chemical properties, 5-Benzyl-1H-tetrazole requires careful handling and storage to ensure safety and prevent degradation.

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  • 18489-25-3 Structure
  • Basic information

    1. Product Name: 5-Benzyl-1H-tetrazole
    2. Synonyms: RARECHEM AQ NN 0434;SALOR-INT L158364-1EA;5-(PHENYLMETHYL)-1H-TETRAZOLE;5-BENZYL-1H-1,2,3,4-TETRAAZOLE;5-BENZYL-1H-1,2,3,4,TETRAZOLE;5-BENZYL-1H-TETRAZOLE;5-BENZYLTETRAZOLE;1H-TETRAZOLE, 5-(PHENYLMETHYL)-
    3. CAS NO:18489-25-3
    4. Molecular Formula: C8H8N4
    5. Molecular Weight: 160.18
    6. EINECS: N/A
    7. Product Categories: Miscellaneous
    8. Mol File: 18489-25-3.mol
  • Chemical Properties

    1. Melting Point: 117-121
    2. Boiling Point: 356.6 °C at 760 mmHg
    3. Flash Point: 172.6 °C
    4. Appearance: /
    5. Density: 1.262 g/cm3
    6. Vapor Pressure: 2.88E-05mmHg at 25°C
    7. Refractive Index: 1.615
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: soluble in Ethanol
    10. PKA: 5.00±0.10(Predicted)
    11. CAS DataBase Reference: 5-Benzyl-1H-tetrazole(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-Benzyl-1H-tetrazole(18489-25-3)
    13. EPA Substance Registry System: 5-Benzyl-1H-tetrazole(18489-25-3)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36-24/25
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 18489-25-3(Hazardous Substances Data)

18489-25-3 Usage

Uses

Used in Pharmaceutical Industry:
5-Benzyl-1H-tetrazole is used as a synthetic intermediate for the development of various drugs. Its versatile functional group allows for the creation of a wide range of pharmaceutical compounds, making it an essential component in drug synthesis.
Used in Chemical Synthesis:
5-Benzyl-1H-tetrazole is used as a building block in the synthesis of other complex organic molecules. Its unique structure and properties enable it to form stable bonds with a variety of other molecules, contributing to the formation of new chemical entities with potential applications in various industries.
Used in Research and Development:
5-Benzyl-1H-tetrazole is employed as a research compound in the study of chemical reactions and interactions. Its properties and reactivity make it a valuable tool for understanding the behavior of other molecules and developing new synthetic strategies.
Used in Industrial Applications:
5-Benzyl-1H-tetrazole is used as a chemical intermediate in various industrial processes. Its ability to form stable bonds with other molecules makes it a useful component in the production of a wide range of industrial products, from plastics to coatings.
Used in Material Science:
5-Benzyl-1H-tetrazole is used as a component in the development of new materials with unique properties. Its ability to interact with other molecules can contribute to the creation of materials with enhanced characteristics, such as improved strength, flexibility, or chemical resistance.

Check Digit Verification of cas no

The CAS Registry Mumber 18489-25-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,4,8 and 9 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 18489-25:
(7*1)+(6*8)+(5*4)+(4*8)+(3*9)+(2*2)+(1*5)=143
143 % 10 = 3
So 18489-25-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H8N4/c1-2-4-7(5-3-1)6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)

18489-25-3 Well-known Company Product Price

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  • Alfa Aesar

  • (H50675)  5-Benzyl-1H-tetrazole, 99%   

  • 18489-25-3

  • 1g

  • 453.0CNY

  • Detail
  • Alfa Aesar

  • (H50675)  5-Benzyl-1H-tetrazole, 99%   

  • 18489-25-3

  • 5g

  • 1943.0CNY

  • Detail

18489-25-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-benzyl-2H-tetrazole

1.2 Other means of identification

Product number -
Other names 5-Benzyl-2H-1,2,3,4-Tetraazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:18489-25-3 SDS

18489-25-3Relevant articles and documents

A rapid and green synthetic approach for hierarchically assembled porous ZnO nanoflakes with enhanced catalytic activity

Sinhamahapatra, Apurba,Giri, Arnab Kanti,Pal, Provas,Pahari, Sandip Kumar,Bajaj, Hari C.,Panda, Asit Baran

, p. 17227 - 17235 (2012)

Three dimensionally (3D) assembled hierarchical porous ZnO structures are of key importance for their applications in sensors, lithium-ion batteries, solar cells and in catalysis. Here, the controlled synthesis of 3D hierarchically porous ZnO architectures constructed of two dimensional (2D) nano-sheets through the calcination of a hydrozincite [Zn5(CO 3)2(OH)6] intermediate is presented. The intermediate 3D hierarchical hydrozincite has been synthesized by a novel organic surfactant and solvent free aqueous protocol at room temperature using an aqueous solution of ammonium carbonate and laboratory grade bulk ZnO in a short time (20-30 min). The amount of carbonate and the reaction temperature play a crucial role in the formation of the 3D hierarchical morphology and on the basis of the experimental results a probable reaction mechanism is proposed. On calcination, the synthesized 3D hierarchical hydrozincite resulted in ZnO with an almost identical morphology to the parental hydrozincite. On decomposition a porous structure having a surface area of 44 m2 g-1 is obtained. The synthesized hierarchical ZnO morphology exhibits an improved catalytic activity for the synthesis of 5-substituted-1H-tetrazoles with different nitriles and sodium azide than that of nanocrystalline ZnO and bulk ZnO, as well as other developed solid catalysts. The catalyst is easily recyclable without a significant loss in catalytic activity. The Royal Society of Chemistry 2012.

1-Disulfo-[2,2-bipyridine]-1,1-diium chloride ionic liquid as an efficient catalyst for the green synthesis of 5-substituted 1H-tetrazoles

Aali, Elaheh,Gholizadeh, Mostafa,Noroozi-Shad, Nazanin

, (2021/08/30)

A simple, green and efficient method has been developed for the synthesis of 5-substituted 1H-tetrazole derivatives through [2+3] cycloaddition reaction in good to excellent yields between various benzonitriles and sodium azide. For this purpose, 1-disulfo-[2,2-bipyridine]-1,1-diium chloride ([BiPy](HSO3)2Cl2) system as an ionic liquid catalyst have been extended for the construction of these valuable products. This procedure has significant advantages, including using ethylene glycol as a green solvent. The other advantages of this method are inexpensive and ease the preparation of the catalyst, mild reaction conditions, green reaction medium, easy workup, short reaction time, and simple experimental process.

Practical synthesis of tetrazoles from amides and phosphorazidates in the presence of aromatic bases

Ishihara, Kotaro,Ishihara, Kazuki,Tanaka, Yota,Shioiri, Takayuki,Matsugi, Masato

supporting information, (2022/02/02)

Tetrazoles were effectively synthesized from amides using diphenyl phosphorazidate or bis(p-nitrophenyl) phosphorazidate in the presence of aromatic bases. Various amides underwent the proposed cycloaddition reaction to provide the corresponding tetrazoles. Studies on the racemization of chiral substrates were also performed. Overall, the proposed synthesis method enables the preparation of 1,5-disubstituted and 1-substituted tetrazoles, and 5-substituted 1H-tetrazoles without using toxic or explosive reagents.

Sustainable and recyclable magnetic nanocatalyst of 1,10-phenanthroline Pd(0) complex in green synthesis of biaryls and tetrazoles using arylboronic acids as versatile substrates

Bagherzadeh, Nastaran,Sardarian, Ali Reza,Eslahi, Hassan

, (2021/04/02)

A magnetic nanocatalyst was purveyed as a heterogeneous recoverable palladium-based catalyst anchored on green, sustainable and phosphine free support. Resulted Fe3O4@SiO2-Phen-Pd(0) nanocatalyst bearing powerful phenanthroline ligand was thoroughly characterized by physicochemical approaches like UV–vis, FT-IR, EDX, XRD, TGA, ICP, VSM, DLS, FESEM, and TEM analyses. After finding trustable data, the obtained magnetic catalyst was considered to be applied in the Suzuki-Miyaura type C-C couplings and getting corresponding tetrazoles using arylboronic acid derivatives as alternate precursors of aromatic halides and stupendous data were observed.

Magnetic nitrogen-doped carbon derived from silk cocoon biomass: a promising and sustainable support for copper

Akbarzadeh, Parisa,Koukabi, Nadiya,Tahmasbi, Marzieh

, (2021/12/01)

In this study, a magnetic nitrogen-doped carbon-based copper (MNC-Cu) catalyst was fabricated so that natural silk cocoons undergo thermal processes and then activate by combining with Fe3O4 MNPs as a suitable substrate for placement copper metal. The efficiency of the generated catalyst in the synthesis of 5-substituted 1H-tetrazole derivatives was evaluated by the [3 + 2] cycloaddition reaction of aromatic aldehydes, azide ions, and hydroxylamines. FT-IR, FE-SEM, EDS, TEM, XRD, TGA, and VSM techniques have been adopted to identify and validate this heterogeneous catalyst. The observation from EDS, elemental mapping, XRD, and FT-IR analysis confirms the immobilization of Cu metals on the MNC surface and uniform distribution of species and then no aggregation occurs during functionalization. VSM results show the magnetic feature of fabricated catalyst, and based on the leaching test, the amount of catalyst leaching was negligible. Moreover, this reaction is a one-pot multicomponent reaction (MCRs) or more precisely a one-pot, three-component reaction, which is one of the advantages of this work. The fabricated catalyst shows high efficiency, good stability, and considerable reactivity in synthesizing 5-substituted 1H-tetrazole derivatives. So it can be seen that the fabricated magnetic catalyst is a useful and practical catalyst for synthesizing [3 + 2] cycloaddition reactions. Reusability and recyclability for five sequential runs without notable increase and reduction in activity are other advantages. In addition, the magnetic properties of this heterogeneous catalyst led to easy and quickly recovered and striking copper leaching. Graphical abstract: [Figure not available: see fulltext.]

Fe3O4@L-lysine-Pd(0) organic–inorganic hybrid: As a novel heterogeneous magnetic nanocatalyst for chemo and homoselective [2 + 3] cycloaddition synthesis of 5-substituted 1H-tetrazoles

Ashraf, Muhammad Aqeel,Liu, Zhenling,Li, Cheng,Zhang, Dangquan

, (2020/12/23)

An efficient and sustainable synthetic protocol has been presented to synthesis and 5-substituted 1H-tetrazole privileged heterocyclic substructures. The synthetic protocol involves two-component reaction between aryl nitriles and NaN3 in water using complex of L-lysine-palladium nanoparticles (NPs) modified Fe3O4 nanoparticles as magnetically separable, recyclable, and reusable heterogeneous catalyst. Magnetically retrievable L-lysine-Pd(0) modified Fe3O4 nanoparticles were applied in [2 + 3] cycloaddition synthesis of 5-substituted 1H-tetrazoles. The advantages of this strategy include easy recovery and efficient reusability of the expensive Pd NPs, obtaining high yields of [2 + 3] cycloaddition, short reaction times, and all of the reported synthetic strategies are being performed in water as green solvent for a wide range of substrates.

Copper coordinated-poly(α-amino acid) decorated on magnetite graphene oxide as an efficient heterogeneous magnetically recoverable catalyst for the selective synthesis of 5- and 1-substituted tetrazoles from various sources: A comparative study

Kazemnejadi, Milad,Mahmoudi, Boshra,Sharafi, Zeinab,Nasseri, Mohammad A.,Allahresani, Ali,Esmaeilpour, Mohsen

, (2019/12/15)

In this work, poly(α-amino acid)-Cu(II) complex immobilized on magnetite graphene oxide (GO/Fe3O4?PAA-Cu-complex) was prepared via a multistep synthesis and employed as an efficient, heterogeneous, magnetically recyclable nanocatalyst for one-pot, three component synthesis of 5- and 1-substituted tetrazoles using different substrates including benzaldehydes, benzonitriles, and anilines in mild conditions. The different approaches were mechanically investigated and compared. The catalyst was fully characterized by Fourier transform infrared (FTIR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), vibrating sample magnetometer (VSM), energy dispersive X-ray spectroscopy (EDX), inductively coupled plasma (ICP), FE-SEM and TEM analyses. The magnetic nanocatalyst could be readily separated from the reaction mixture by an external magnet and reused for several times without significant loss of catalytic activity. Also, the spectroscopic analysis revealed the stability and durability of the catalyst. Finally, the chemoselectivity of the method was investigated by the various combinations of aldehyde, nitrile, and oxime.

Guanidine complex of copper supported on boehmite nanoparticles as practical, recyclable, chemo and homoselective organic–inorganic hybrid nanocatalyst for organic reactions

Jafari, Fariba,Ghorbani-Choghamarani, Arash,Hasanzadeh, Neda

, (2020/08/05)

Boehmite (BO) nanoparticles (NPs) were prepared via the injection of aqueous NaOH solution to aqueous aluminum nitrate solution at room temperature. Afterwards, a new complex of copper was immobilized on BO-NPs (Cu-Guanidine@BO-NPs). This heterogeneous nanocatalyst was used as a practical, recyclable, chemo and homoselective nanocatalyst in the organic processes, i.e. the preparation of tetrazole five-membered heterocycles and chemoselective sulfoxidation of sulfides using H2O2 as oxidant. In this sense, the prepared nanocatalyst was characterized by AAS, N2 adsorption–desorption isotherms, WDX, EDS, SEM, and TGA techniques. The reusability of this catalyst was investigated in the described organic reactions for several runs without notable loss of its catalytic activity. Moreover, all of the tetrazole and sulfoxide derivatives were isolated in high Turn Over Number (TON) and Turn Over Frequency (TOF) numbers indicating the high activity and selectivity of Cu-Guanidine@BO-NPs in the described reactions.

A robust and recyclable ionic liquid-supported copper(II) catalyst for the synthesis of 5-substituted-1H-tetrazoles using microwave irradiation

Padmaja,Chanda, Kaushik

, p. 1307 - 1317 (2019/11/14)

Abstract: A novel and robust ionic liquid-supported copper(II) catalyst has been developed and explored for the efficient synthesis of 5-substituted-1H-tetrazoles using microwave irradiation. The ionic liquid-supported catalyst facilitated the efficient isolation of tetrazole products with high purity by simple extraction with organic solvent. Recovered ionic liquid-supported copper(II) catalyst could be recycled for three times for the synthesis of tetrazole products with high purity. This synthetic protocol offers a very clean, convenient, and microwave-assisted environment-friendly method for the efficient synthesis of 5-substituted-1H-tetrazoles with high yield. Graphic abstract: [Figure not available: see fulltext.].

Novel Hybrid Thioamide Ligand Supported Copper Nanoparticles on SBA-15: A Copper Rich Robust Nanoreactor for Green Synthesis of Triazoles and Tetrazoles in Water Medium

Pourhassan, Fatemeh,Eshghi, Hossein

, p. 1287 - 1300 (2019/11/21)

Abstract: In this work, a new thioamide based ligand with reductive nature was designed for modification of mesoporous SBA-15. For this purpose, the channels of SBA-15 were modified with Tris(2-aminoethyl)amine (TAEA) groups and then reacted with S8 and phenyl acetylene to form thioamide groups via Willgerodt-Kindler reaction. This porous material proved to be an effective host for the immobilization of inexpensive Cu(II) ions. The catalytically active Cu(I) species were generated automatically due to the reductive nature of thioamide modified surface of catalyst without use of any toxic reducing agents. The well stabilized Cu(I) species into the nano-channels of SBA-15 were used for synthesis of various triazoles from sodium azide, phenyl acetylene and alkyl/benzyl halides or alkyl epoxides and various tetrazoles from sodium azide and aryl/alkyl nitriles under green mild aqueous reaction conditions. This catalytic system was used for 9 and 11 consecutive runs for synthesis of triazoles and tetrazoles, respectively. Graphic Abstract: [Figure not available: see fulltext.]

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