4-(4-Methoxyphenyl)-1H-1,2,3-triazole

Base Information

• Chemical Name: 4-(4-Methoxyphenyl)-1H-1,2,3-triazole
• CAS No.: 5301-97-3
• Molecular Formula: C9H9N3O
• Molecular Weight: 175.19
• DSSTox Substance ID: DTXSID301286931
• Nikkaji Number: J145.536B
• ChEMBL ID: CHEMBL1909732
• Mol file: 5301-97-3.mol

Synonyms:4-(4-Methoxyphenyl)-1H-1,2,3-triazole;5301-97-3;CHEMBL1909732;1H-1,2,3-Triazole, 4-(4-methoxyphenyl)-;v-Triazole, 4-(p-methoxyphenyl)-;5-(4-methoxyphenyl)-1H-1,2,3-triazole;SCHEMBL2200076;DTXSID301286931;BDBM50355860;MFCD08669951;AKOS006291267;AB46112;1H-4(p-Methoxyphenyl)-1,2,3-triazole;SY297747;Methyl 4-(1H-1,2,3-triazol-4-yl)phenyl ether #

Chemical Property of 4-(4-Methoxyphenyl)-1H-1,2,3-triazole

Chemical Property:

• PSA: 50.80000
• LogP: 1.48030
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.074561919
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(4-Methoxyphenyl)-1H-1,2,3-triazole

There total 32 articles about 4-(4-Methoxyphenyl)-1H-1,2,3-triazole 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%

1-methoxy-4-(2-nitro-vinyl)-benzene (3179-10-0) → 4-(4-methoxyphenyl)-1H-[1,2,3]triazole (5301-97-3)

Guidance literature:

With trimethylsilylazide; potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 0.0833333h; Sealed tube;

DOI:10.1002/ejoc.201801290

Reference yield: 96.0%

nitromethane (75-52-5) + 4-methoxy-benzaldehyde (123-11-5) → 4-(4-methoxyphenyl)-1H-[1,2,3]triazole (5301-97-3)

Guidance literature:

With sodium azide; ammonium acetate; acetic acid; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1002/cjoc.201700367

Reference yield: 93.0%

diethyl-carbamic acid 4-(4-methoxy-phenyl)-[1,2,3]triazol-1-ylmethyl ester (872700-89-5) → 4-(4-methoxyphenyl)-1H-[1,2,3]triazole (5301-97-3)

Guidance literature:

With sodium hydroxide; In methanol; at 85 ℃; for 24h;

DOI:10.1055/s-2005-918944

upstream raw materials:

(4-methoxyphenacylidene)triphenyl phosphorane

4-methoxyphenylacetylen

1-(4-methoxyphenyl)ethanone

[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]methyl pivalate

Downstream raw materials:

4-(4-hydroxyphenyl)-1,2,3-triazole

4-(1H-1,2,3-triazol-4-yl)-phenol

4-(4-methoxyphenyl)-1-pentyl-1H-[1,2,3]triazole

4-(4-methoxyphenyl)-2-pentyl-2H-[1,2,3]triazole