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

Base Information

• Chemical Name: 1-(4-Methoxy-phenyl)-1H-tetrazole
• CAS No.: 21788-28-3
• Molecular Formula: C8H8N4O
• Molecular Weight: 176.178
• Hs Code.: 2933990090
• NSC Number: 111899
• DSSTox Substance ID: DTXSID80296828
• Nikkaji Number: J467.695E
• Wikidata: Q82037611
• Mol file: 21788-28-3.mol

Synonyms:21788-28-3;1-(4-methoxyphenyl)tetrazole;1-(4-Methoxy-phenyl)-1H-tetrazole;1-(4-methoxyphenyl)-1H-tetrazole;1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazole;NSC111899;ChemDiv2_001183;SCHEMBL2048542;1(4-methoxyphenyl)-1h-tetrazole;DTXSID80296828;HMS1372F17;1H-Tetrazole,1-(4-methoxyphenyl)-;MFCD00558755;STK386524;AKOS000573569;NSC-111899;LS-07956;EU-0048231

Chemical Property of 1-(4-Methoxy-phenyl)-1H-tetrazole

Chemical Property:

• Boiling Point: 327.9°Cat760mmHg
• Flash Point: 152.1°C
• PSA: 52.83000
• Density: 1.3g/cm³
• LogP: 0.67090
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• 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

1-(4-Methoxyphenyl)-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C=NN=N2
• Uses: 1-(4-Methoxyphenyl)-1H-tetrazole is used in synthesis, in-silico molecular modeling, anti-diabetic, antibacterial and antifungal activities of aryl-N-tosyl-tetrazole-carboxamides.

Technology Process of 1-(4-Methoxy-phenyl)-1H-tetrazole

There total 10 articles about 1-(4-Methoxy-phenyl)-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: 98.0%

4-methoxy-aniline (104-94-9) + orthoformic acid triethyl ester (122-51-0) → 1-(4-methoxyphenyl)-1H-tetrazole (21788-28-3)

Guidance literature:

With acetic acid; at 100 ℃; for 0.25h;

DOI:10.1007/s13738-013-0279-4

Reference yield: 95.0%

para-methoxynitrobenzene (100-17-4) + orthoformic acid triethyl ester (122-51-0) → 1-(4-methoxyphenyl)-1H-tetrazole (21788-28-3)

Guidance literature:

With sodium tetrahydroborate; sodium azide; In water; for 1.33333h; Reflux;

DOI:10.1016/j.mcat.2020.111311

Reference yield: 94.0%

p-methoxyphenylisonitrile (10349-38-9) → 1-(4-methoxyphenyl)-1H-tetrazole (21788-28-3)

Guidance literature:

With trimethylsilylazide; In water; at 20 ℃; for 1h; Time; Sonication;

DOI:10.1039/C8NJ02312C

upstream raw materials:

4-methoxyformanilide

p-methoxyphenylisonitrile

4-methoxy-aniline

orthoformic acid triethyl ester

Downstream raw materials:

N-(p-methoxyphenyl)benzamide

Refernces

• 1、 Ahmadi, Sharareh,Ariannezhad, Maryam,Habibi, Davood,Heydari, Somayyeh,Jafari, Ali. "Removal of the Cd(II), Ni(II), and Pb(II) ions via their complexation with the uric acid-based adsorbent and use of the corresponding Cd-complex for the synthesis of tetrazoles". . . Retrieved 2021/11/22.
• 2、 Bagherzade, Ghodsieh,Ghamari kargar, Pouya. "The anchoring of a Cu(ii)-salophen complex on magnetic mesoporous cellulose nanofibers: green synthesis and an investigation of its catalytic role in tetrazole reactions through a facile one-pot route". . p. 19203 - 19220. Retrieved 2021/06/03.