5-(4-methoxyphenyl)-2H-tetrazole

Base Information

• Chemical Name: 5-(4-methoxyphenyl)-2H-tetrazole
• CAS No.: 6926-51-8
• Molecular Formula: C8H8 N4 O
• Molecular Weight: 176.178
• Hs Code.: 2933990090
• NSC Number: 206225
• DSSTox Substance ID: DTXSID20308651
• Nikkaji Number: J816.257C
• Wikidata: Q82056633
• ChEMBL ID: CHEMBL43186
• Mol file: 6926-51-8.mol

Synonyms:6926-51-8;5-(4-methoxyphenyl)-2H-tetrazole;5-(4-Methoxy-phenyl)-2H-tetrazole;5-(4-METHOXYPHENYL)-1H-TETRAZOLE;2H-Tetrazole,5-(4-methoxyphenyl)-;5-(4-Methoxy-phenyl)-1H-tetrazole;NSC206225;4-methoxyphenyl tetrazole;5-(4-Methoxyphenyl)-1H-1,2,3,4-Tetrazole;5-(p-methoxyphenyl)tetrazole;5-(4-methoxyphenyl)tetrazole;CHEMBL43186;SCHEMBL672108;5-(4-methoxy-phenyl)-tetrazole;DTXSID20308651;HMS1675A12;5-(4-methoxyphenyl)-2H-tetraazole;AC8027;MFCD00844026;MFCD00991875;AKOS000296815;AKOS000576037;AB07443;NSC 206225;NSC-206225;AS-61603;SY038814;AM20041019;BB 0238261;CS-0331339;FT-0619659;5-(4-methoxyphenyl)-2h-1,2,3,4-tetraazole;1H-1,2,3,4-Tetrazole, 5-(4-methoxyphenyl)-;SR-01000394331;SR-01000394331-1;WIH

Chemical Property of 5-(4-methoxyphenyl)-2H-tetrazole

Chemical Property:

• Vapor Pressure: 1.6E-05mmHg at 25°C
• Melting Point: 235-238°C
• Boiling Point: 365.2°C at 760 mmHg
• Flash Point: 133.2°C
• PSA: 63.69000
• Density: 1.288g/cm³
• LogP: 0.87530
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.06981089
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

5-(4-Methoxyphenyl)-2H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NNN=N2

Technology Process of 5-(4-methoxyphenyl)-2H-tetrazole

There total 30 articles about 5-(4-methoxyphenyl)-2H-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%

4-methoxybenzonitrile (874-90-8) → 5-(4-methoxyphenyl)-1H-tetrazole (6926-51-8)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 120 ℃; for 3h;

DOI:10.14233/ajchem.2017.20337

Reference yield: 98.0%

p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9) → 5-(4-methoxyphenyl)-1H-tetrazole (6926-51-8)

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

Reference yield: 98.0%

4-methoxy-benzaldehyde (123-11-5) → 5-(4-methoxyphenyl)-1H-tetrazole (6926-51-8)

Guidance literature:

With 1-n-butyl-3-methylimidazolium azide; hydroxylamine; copper diacetate; In N,N-dimethyl-formamide; at 120 ℃; for 12h;

DOI:10.1055/s-0032-1317671

upstream raw materials:

4-methoxy-benzimidic acid ethyl ester

4-methoxybenzonitrile

formic acid hydrazide

4-methoxyphenylacetamide

Downstream raw materials:

3,5-bis(4-methoxyphenyl)-1H-1,2,4-triazole

4-[5-(4-Methoxy-phenyl)-tetrazol-2-ylmethyl]-2,6-dimethyl-phenol

4-Hydroxy-3-methoxy-5-[5-(4-methoxy-phenyl)-tetrazol-2-ylmethyl]-benzaldehyde

5-(4-Methoxy-phenyl)-1-trityl-1H-tetrazole

Refernces

• 1、 Mahmoudi, Boshra,Rostami, Amin,Kazemnejadi, Milad,Hamah-Ameen, Baram Ahmed. "Oxidation/ MCR domino protocol for direct transformation of methyl benzene, alcohol, and nitro compounds to the corresponding tetrazole using a three-functional redox catalytic system bearing TEMPO/Co(III)-porphyrin/ Ni(II) complex". . . Retrieved 2020/12/21.
• 2、 Ashraf, Muhammad Aqeel,Liu, Zhenling,Li, Cheng,Zhang, Dangquan. "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". . . Retrieved 2020/12/23.