3-Methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Base Information

Chemical Name:3-Methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone
CAS No.:108664-53-5
Molecular Formula:C₁₃H₁₅N₃O₃
Molecular Weight:261.28
Hs Code.:
UNII:67F5AF210P
DSSTox Substance ID:DTXSID00910817
Wikidata:Q27264122

Synonyms:3-Methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone;108664-53-5;UNII-67F5AF210P;67F5AF210P;3-methoxy-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one;DTXSID00910817;Q27264122;1-Propanone, 3-methoxy-1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)-;3-Methoxy-1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propan-1-one

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Chemical Property:

Vapor Pressure:1.48E-08mmHg at 25°C
Melting Point:114-115.5 °C
Boiling Point:457.6±55.0 °C(Predicted)
PKA:1.42±0.11(Predicted)
Density:1.22±0.1 g/cm3(Predicted)
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:261.11134135
Heavy Atom Count:19
Complexity:293

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COCC(C(=O)C1=CC=C(C=C1)OC)N2C=NC=N2

Technology Process of 3-Methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

There total 3 articles about 3-Methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone 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: 57.0%

: 67-56-1
methanol

: 104940-92-3
1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)-2-propen-1-one

: 108664-53-5
3-methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Guidance literature:: for 4h; Heating;
DOI:10.1021/jm00391a037

Reference yield:

: 2632-13-5
2-Bromo-4'-methoxyacetophenone

: 108664-53-5
3-methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Guidance literature:: Multi-step reaction with 3 steps

1: 6 g / NaH / tetrahydrofuran / 0.5 h / Ambient temperature

2: acetic anhydride / 0.25 h / 40 °C

3: 57 percent / 4 h / Heating

With acetic anhydride; sodium hydride; In tetrahydrofuran;
DOI:10.1021/jm00391a037

Reference yield:

: 89082-07-5
1-(4-methoxyphenyl)-2-(1H-1,2,4-triazole-1-yl)-ethanone

: 108664-53-5
3-methoxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Guidance literature:: Multi-step reaction with 2 steps

1: acetic anhydride / 0.25 h / 40 °C

2: 57 percent / 4 h / Heating

With acetic anhydride;
DOI:10.1021/jm00391a037