13616-37-0

Basic information

• Product Name: ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE
• Synonyms: TIMTEC-BB SBB001698;AKOS BBS-00005306;ETHYL(TETRAZOL-5-YL)ACETATE;ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE;ETHYL 1 H-TETRAZOLE-5-ACETATE;ETHYL 2H-TETRAZOL-5-YLACETATE;1H-Tetrazole-5-acetic Acid Ethyl Ester;Ethyl 2-(2H-tetrazol-5-yl)-acetate
• CAS NO: 13616-37-0
• Molecular Formula: C₅H₈N₄O₂
• Molecular Weight: 156.14
• Product Categories: Building Blocks;Heterocyclic Building Blocks;Tetrazoles;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 13616-37-0.mol
• Article Data: 21

Chemical Properties

• Melting Point: 123-127 °C(lit.)
• Boiling Point: 312.269 °C at 760 mmHg
• Flash Point: 142.656 °C
• Appearance: /
• Density: 1.338 g/cm³
• Vapor Pressure: 0.000535mmHg at 25°C
• Refractive Index: 1.521
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: soluble in Methanol
• PKA: 4.31±0.10(Predicted)
• CAS DataBase Reference: ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE(13616-37-0)
• EPA Substance Registry System: ETHYL 2-(2H-1,2,3,4-TETRAAZOL-5-YL)ACETATE(13616-37-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 13616-37-0(Hazardous Substances Data)

Usage

Uses

Ethyl 1H-tetrazole-5-acetate (Ethyl 1H-tetrazole-5-yl acetate, Hetza) may be employed as starting reagent for the synthesis of ethyl aryloxadiazolylacetates. It may be used for the preparation of homochiral 3D diamondoid metal-organic framework [Zn2(etza)4].

General Description

Ethyl 1H-tetrazole-5-acetate is a tetrazole derivative. Its effect on glutaminyl cyclase activity of the recombinant human glutaminyl cyclase (QC) has been reported.

InChI:InChI=1/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 123-91-1 1,4-dioxane 

Downstream Products

• 5932-27-4 ethyl 1H-pyrazole-3-carboxylate 
• 70786-25-3 (tetrazolo-5-yl)acetanilide 
• 91660-72-9 ethyl 2-[2-(4-methoxybenzyl)-2H-1,2,3,4-tetrazol-5-yl]acetate 
• 147284-26-2 ethyl 1-triphenylmethyltetrazol-5-ylacetate 
• 89488-96-0 ethyl (2-methyl-2H-tetrazol-5-yl)acetate 
• 937055-99-7 Ethyl 2-(1-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propyl}-1H-1,2,3,4-tetrazol-5-yl)acetate 
• 937055-98-6 Ethyl 2-(2-{3-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]propyl}-2H-1,2,3,4-tetrazol-5-yl)acetate 
• 937054-38-1 ethyl 2-(2-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-10-fluoro-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl}-2H-1,2,3,4-tetrazol-5-yl)acetate 
• 937055-55-5 ethyl 2-(2-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl}-2H-1,2,3,4-tetrazol-5-yl)acetate 
• 937055-56-6 ethyl 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]ethyl}-1H-1,2,3,4-tetrazol-5-yl)acetate 
• 186368-61-6 ethyl (5-(4-methoxyphenyl)-[1,3,4]oxadiazol-2-yl)acetate 
• 4882-92-2 ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate 
• 5250-25-9 ethyl 2-(1-methyl-1H-tetrazol-5-yl)acetate 
• 91660-71-8 ethyl 2-(5-(4-methoxybenzyl)tetrazolyl)acetate 

Relevant articles and documents

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Challenging the Limits of Nitro Groups Associated with a Tetrazole Ring

To challenge the limits of nitro groups associated with a tetrazole ring, the polynitrotetrazoles, 2,5-bis(dinitromethyl)-2H-tetrazole, and 2-(dinitromethyl)-5-(trinitromethyl)-2H-tetrazole as well as their salts, were designed, synthesized, and characterized. The neutral compounds were also studied by natural bonding orbital (NBO) and Hirshfeld surface calculations. The heats of formation were calculated with Gaussian 03 and combined with experimentally determined densities in order to obtain the detonation properties of the energetic materials with the EXPLO5 program. They exhibit high densities, good oxygen balances, positive heats of formation, and excellent detonation properties.

Computer design, synthesis, and bioactivity analyses of drugs like fingolimod used in the treatment of multiple sclerosis

Multiple sclerosis (MS) is a very common disease of vital importance. In the MS treatment, some drugs such as fingolimod which help to protect nerves from damage are used. The main goal of the drug therapy in MS is to take control of the inflammation whic

Synthesis of 5-substituted 1H-tetrazoles and oxidation of sulfides by using boehmite nanoparticles/nickel-curcumin as a robust and extremely efficient green nanocatalyst

Nickel-anchored curcumin-functionalized boehmite nanoparticles (BNPs@Cur-Ni) as a robust and versatile nanocatalyst was synthesized and well-characterized by using Fourier transform infrared (FT-IR), transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive X-ray (EDX), X-ray mapping, thermogravimetric analysis (TGA), differential thermal analysis (DTA), Brunauer–Emmett–Teller (BET), X-ray diffraction (XRD), and inductively coupled plasma optical emission spectroscopy (ICP-OES). The synthesis of 5-substituted 1H-tetrazoles and the oxidation of sulfides were conducted by BNPs@Cur-Ni with excellent turnover number (TON) and turnover frequency (TOF) outcomes. Also, the catalyst was reused for several sequential runs without Ni leaching or decreasing in reaction yield. Utilizing the curcumin and boehmite with a natural source as well as poly(ethylene glycol) (PEG) as a solvent in this simple protocol can be based on green chemistry rules.