Synthesis of 5-phenyltetrazole

Preparation of 5-phenyltetrazole

Preparation of 5-phenyltetrazole

Preparation of 5-phenyltetrazole

To the solution of 10.3 g (100 mmole) of benzonitrile in 50 ml of DMF 7.8 g (120 mmole) of sodium azide and 6.4 g (120 mmole) of ammonium chloride are added. The obtained mixture is stirred for 5 h at 100° C. The sodium chloride is filtered off, and DMF is removed in vacuo. The solid residue is dissolved in 100 ml of water, acidified with concentrated hydrochloric acid to pH < 2 and obtained crystals of 5-phenyltetrazole are separated by  filtration.

Chemistry of Heterocyclic Compounds, 1986, 22 (8), 880-883.

IUPAC Name

5-phenyl-2H-tetrazole

InChI

InChI=1S/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11)

InChI Key

MARUHZGHZWCEQU-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)C2=NNN=N2

Depositor-Supplied Synonyms

5-Phenyl-1H-tetrazole, 5-Phenyltetrazole, 5-Phenyl-2H-tetrazole, 18039-42-4, 1H-Tetrazole, 5-phenyl-, 2H-Tetrazole, 5-phenyl-, 5-Phenyl tetrazole, Phenyltetrazole, Expandex 5PT, MA 1623, Expandex OX 5PT, Kempore 50XPT, 5-Phenyltetrazole (VAN), CHEMBL39261, MARUHZGHZWCEQU-UHFFFAOYSA-N, EINECS 241-950-8, 5-phenyl-1H-1,2,3,4-tetraazole, NSC 11138, ST086624, 3999-10-8, phenyltetrazol, phenyl tetrazole, phenyl-tetrazole, InChI=1/C7H6N4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5H,(H,8,9,10,11, 5-phenyl-tetrazole, 5 -Phenyltetrazole, 5-Pheny1-Tetrazole, PubChem9132, 5-phenyl 1h-tetrazole, 5-Phenyl-1H-tetrazol, Tetrazole, 5-phenyl-, 5-Phenyl(1H)tetrazole, ACMC-1AMGN, Enamine_005030, AC1L3DLU, AC1Q4XBK, 5-phenyl-2-H-tetrazole, SCHEMBL4950, 5-Phenyl-1H-tetraazole #, DSSTox_CID_24858, DSSTox_RID_80536, UNII-L66K25GN4V, DSSTox_GSID_44858, KSC178A5B, MLS000779707, 347744_ALDRICH, L66K25GN4V, Tetrazole, 5-phenyl- (6CI), Jsp003707, STOCK1S-05323, CTK0H8050, CTK4I2222, MolPort-000-887-487, MolPort-001-002-669, HMS1408E14, HMS2797H22, NSC11138, Tox21_301684, 5-phenyl-2H-1,2,3,4-tetraazole, ANW-23013, NSC-11138, SBB030492, STK020781, AKOS000262997, AKOS000277280, AN-8121, MCULE-2491419626, PS-4462, RP21065, RTR-008282, IDI1_007617, NCGC00246367-01, NCGC00256045-01, AC-17071, AK-47493, BC211187, BR-47493, CS-10905, KB-44055, SC-46606, SMR000419890, AB0003798, AB1004041, CAS-18039-42-4, DB-011455, KB-198205, KB-198216, LS-149185, TR-008282, AM20060882, BB 0258383, FT-0620745, P1109, R4589, ST24033079, AZ0001-0003, A23408, M-6369, 74150-EP2272848A1, 74150-EP2305629A1, 74150-EP2308869A1, I01-1744, T0514-1558, 1H-Tetrazole,1-phenyl-;1-Phenyl-1H-tetrazole;5-phenyl-1h-tetrazol;5-phenyl-tetrazol, 133585-63-4, 221658-40-8, 25378-28-3, 31422-49-8

Removed Synonyms

null, CID87425

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