5-(4-methoxyphenyl)-1-methyl-1H-tetrazole

Base Information

• Chemical Name: 5-(4-methoxyphenyl)-1-methyl-1H-tetrazole
• CAS No.: 43131-46-0
• Molecular Formula: C9H10N4O
• Molecular Weight: 190.205
• DSSTox Substance ID: DTXSID60357421
• Wikidata: Q82137317
• Mol file: 43131-46-0.mol

Synonyms:5-(4-methoxyphenyl)-1-methyl-1H-tetrazole;43131-46-0;SCHEMBL5193554;DTXSID60357421;STK982911;AKOS005646739

Chemical Property of 5-(4-methoxyphenyl)-1-methyl-1H-tetrazole

Chemical Property:

• PSA: 52.83000
• LogP: 0.88570
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 190.08546096
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

5-(4-METHOXYPHENYL)-1-METHYLTETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NN=N1)C2=CC=C(C=C2)OC

Technology Process of 5-(4-methoxyphenyl)-1-methyl-1H-tetrazole

There total 8 articles about 5-(4-methoxyphenyl)-1-methyl-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%

4-methoxy-N-methylbenzamide (3400-22-4) → 5-(4-methoxyphenyl)-1-methyl-1H-tetrazole (43131-46-0)

Guidance literature:

With picoline; diphenyl phosphoryl azide; for 16h; Reflux; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01890

Reference yield: 77.0%

5-(4-methoxyphenyl)-1H-tetrazole (6926-51-8) + carbonic acid dimethyl ester (616-38-6) → methyl 4-(2-methyl-2H-tetrazol-5-yl)phenyl ether (43131-50-6) + 5-(4-methoxyphenyl)-1-methyl-1H-tetrazole (43131-46-0)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 130 ℃; for 16h; Overall yield = 98 %; Green chemistry;

DOI:10.1002/jhet.2179

Reference yield: 60.0%

5-(4-methoxyphenyl)-2H-tetrazole (6926-51-8) + methyl iodide (74-88-4) → methyl 4-(2-methyl-2H-tetrazol-5-yl)phenyl ether (43131-50-6) + 5-(4-methoxyphenyl)-1-methyl-1H-tetrazole (43131-46-0)

Guidance literature:

With potassium hydroxide; In methanol; for 1h; Heating;

DOI:10.1016/S0928-0987(02)00024-6

upstream raw materials:

5-(4-methoxyphenyl)-1H-tetrazole

dimethyl sulfate

methyl iodide

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

Downstream raw materials:

C₁₀H₁₃N₄O⁽¹⁺⁾*CH₃O₄S^(1-)

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