1-[2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)phenyl]-1H-1,2,3,4-tetraazole

Base Information

• Chemical Name: 1-[2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)phenyl]-1H-1,2,3,4-tetraazole
• CAS No.: 524040-13-9
• Molecular Formula: C₉H₈N₈O
• Molecular Weight: 244.216
• DSSTox Substance ID: DTXSID601240126
• Mol file: 524040-13-9.mol

Synonyms:TimTec1_005976;DTXSID601240126;HMS1550P14;STK769281;AKOS001871206;CCG-143755;SR-01000103859;SR-01000103859-1;1,1'-(2-methoxybenzene-1,4-diyl)bis(1H-tetrazole);1H-Tetrazole, 1,1'-(2-methoxy-1,4-phenylene)bis-;1-[2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)phenyl]-1H-1,2,3,4-tetraazole;524040-13-9

Chemical Property of 1-[2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)phenyl]-1H-1,2,3,4-tetraazole

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 244.08210691
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)N2C=NN=N2)N3C=NN=N3

Technology Process of 1-[2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)phenyl]-1H-1,2,3,4-tetraazole

There total 1 articles about 1-[2-methoxy-4-(1H-1,2,3,4-tetraazol-1-yl)phenyl]-1H-1,2,3,4-tetraazole 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: 63.0%

2-methoxy-1,4-phenylenediamine (5307-02-8) + orthoformic acid triethyl ester (122-51-0) → 1,12-(2-methoxy-1,4-phenylene)bis(1H-tetrazole) (524040-13-9)

Guidance literature:

With sodium azide; acetic acid; at 70 - 80 ℃; for 4h;

DOI:10.1134/S1070428010020247

Reference yield: 79.0%

1,12-(2-methoxy-1,4-phenylene)bis(1H-tetrazole) (524040-13-9) → [3-methoxy-4-(1H-tetrazol-1-yl)phenyl]cyanamide (1241381-29-2)

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide; at 20 ℃;

DOI:10.1134/S1070428010020247

Reference yield:

1,12-(2-methoxy-1,4-phenylene)bis(1H-tetrazole) (524040-13-9) → C9H8N4O (204003-19-0)

Guidance literature:

With sodium hydroxide; In water; dimethyl sulfoxide; at 60 - 70 ℃;

DOI:10.1134/S1070428010020247

upstream raw materials:

2-methoxy-1,4-phenylenediamine

orthoformic acid triethyl ester

Downstream raw materials:

[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]cyanamide

C₉H₈N₄O