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

Base Information

Chemical Name:3-Hydroxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone
CAS No.:108664-52-4
Molecular Formula:C12H13N3O3
Molecular Weight:247.2499
Hs Code.:
DSSTox Substance ID:DTXSID40910816

Synonyms:108664-52-4;3-Hydroxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone;3-hydroxy-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one;DTXSID40910816;3-Hydroxy-1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)propan-1-one

Suppliers and Price of 3-Hydroxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Supply Marketing:

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

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

Chemical Property:

Vapor Pressure:5.77E-11mmHg at 25°C
Boiling Point:503.7°C at 760 mmHg
Flash Point:258.4°C
Density:1.3g/cm³
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:247.09569129
Heavy Atom Count:18
Complexity:280

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(=O)C(CO)N2C=NC=N2

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

There total 3 articles about 3-Hydroxy-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: 58.0%

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

: 108664-52-4
3-hydroxy-2-(1H-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Guidance literature:: With hydrogenchloride; at 100 ℃; for 4h;
DOI:10.1021/jm00391a037

Reference yield:

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

: 108664-52-4
3-hydroxy-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: 58 percent / 6N HCl / 4 h / 100 °C

With hydrogenchloride; 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

: 108664-52-4
3-hydroxy-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: 58 percent / 6N HCl / 4 h / 100 °C

With hydrogenchloride; acetic anhydride;
DOI:10.1021/jm00391a037