5-(2-furyl)-1H-tetrazole

Base Information

• Chemical Name: 5-(2-furyl)-1H-tetrazole
• CAS No.: 23650-33-1
• Molecular Formula: C5H4 N4 O
• Molecular Weight: 136.113
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00363642
• Nikkaji Number: J1.872.658K
• Wikidata: Q82147376
• Mol file: 23650-33-1.mol

Synonyms:5-(2-furyl)-1H-tetrazole;23650-33-1;5-(furan-2-yl)-2H-tetrazole;5-(2-furanyl)-1h-tetrazole;5-(furan-2-yl)-2H-1,2,3,4-tetrazole;2H-Tetrazole, 5-(2-furanyl)-;5-(furan-2-yl)-1H-tetrazole;SCHEMBL5954221;DTXSID00363642;STK684371;AKOS001368775;AKOS005598462;CS-0267431;EN300-27040;Z235344761

Chemical Property of 5-(2-furyl)-1H-tetrazole

Chemical Property:

• Melting Point: 203-204 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))
• Boiling Point: 321.1±34.0 °C(Predicted)
• PKA: 4.17±0.10(Predicted)
• PSA: 67.60000
• Density: 1.425±0.06 g/cm3(Predicted)
• LogP: 0.45970
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 136.03851076
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

5-(furan-2-yl)-1H-1,2,3,4-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C2=NNN=N2

Technology Process of 5-(2-furyl)-1H-tetrazole

There total 9 articles about 5-(2-furyl)-1H-tetrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

2-furancarbonitrile (617-90-3) → 5-(furan-2-yl)-1H-tetrazole (23650-33-1)

Guidance literature:

With bismuth(III) chloride; sodium azide; In water; isopropyl alcohol; at 150 ℃; for 1h; Microwave irradiation;

DOI:10.1080/00397911.2014.989451

Reference yield: 98.0%

furfural (98-01-1) → 5-(furan-2-yl)-1H-tetrazole (23650-33-1)

Guidance literature:

With sodium azide; hydroxylamine hydrochloride; In water; at 20 ℃; for 0.133333h; Green chemistry;

DOI:10.1039/c6ra19631d

Reference yield: 98.0%

2-furaldehyde oxime (1121-47-7) → 5-(furan-2-yl)-1H-tetrazole (23650-33-1)

Guidance literature:

With diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 5,5-dimethyl-1,3-cyclohexadiene; for 4h; Solvent; Reflux; Green chemistry;

DOI:10.1055/s-0036-1591851

upstream raw materials:

2-furancarbonitrile

furfural

furan-2-carbaldehyde oxime

2-furaldehyde oxime

Downstream raw materials:

2-(furan-2-yl)-5-phenyl-1,3,4-oxadiazole

2-benzyl-5-(furan-2-yl)-2H-tetrazole

5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

2-(2-furyl)-5-[5-(2-trifluoromethylphenyl)furan-2-yl]-1,3,4-oxadiazole

Refernces

• 1、 Khalifeh, Reza,Khalili, Dariush,Rastegar, Najme. "Highly active and reusable cu/c catalyst for synthesis of 5-substituted 1h-tetrazoles starting from aromatic aldehydes". . p. 1044 - 1052. Retrieved 2021/06/07.
• 2、 Xiong, Xingquan,Yi, Chao,Liao, Xu,Lai, Shilin. "A practical multigram-scale method for the green synthesis of 5-substituted-1H-tetrazoles in deep eutectic solvent". . p. 402 - 406. Retrieved 2019/01/05.