1-(2,4-Dichlorophenyl)-2-methoxy-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)-2-methoxy-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
• CAS No.: 105459-80-1
• Molecular Formula: C₁₁H₉Cl₂N₃O₂
• Molecular Weight: 286.117
• DSSTox Substance ID: DTXSID50547415

Synonyms:105459-80-1;DTXSID50547415;1-(2,4-Dichlorophenyl)-2-methoxy-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

Chemical Property of 1-(2,4-Dichlorophenyl)-2-methoxy-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 285.0071819
• Heavy Atom Count: 18
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C(=O)C1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2

Technology Process of 1-(2,4-Dichlorophenyl)-2-methoxy-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

There total 1 articles about 1-(2,4-Dichlorophenyl)-2-methoxy-2-(1H-1,2,4-triazol-1-yl)ethan-1-one 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:

1,2,4-Triazole (288-88-0) + 1-(2,4-dichlorophenyl)-2,2-dimethoxyethanone (106836-88-8) → 2,4-Dichlor-α-methoxy-α-(1H-1,2,4-triazol-1-yl)acetophenon (105459-80-1)

Guidance literature:

With Acetyl bromide; Yield given. Multistep reaction; 1.) room temperature, 1 h; 2.) THF/DMF, room temperature, 3 h;

Reference yield: 73.0%

methylmagnesium chloride (676-58-4) + 2,4-Dichlor-α-methoxy-α-(1H-1,2,4-triazol-1-yl)acetophenon (105459-80-1) → (1R,2R/1S,2S)-2-(2,4-Dichlorphenyl)-1-methoxy-1-(1H-1,2,4-triazol-1-yl)-2-propanol (106837-02-9,83223-83-0)

Guidance literature:

In tetrahydrofuran; for 15h; Ambient temperature;

Reference yield: 56.0%

vinylmagnesium chloride (3536-96-7) + 2,4-Dichlor-α-methoxy-α-(1H-1,2,4-triazol-1-yl)acetophenon (105459-80-1) → (1R,2R/1S,2S)-2-(2,4-Dichlorphenyl)-1-methoxy-1-(1H-1,2,4-triazol-1-yl)-3-buten-2-ol (106837-06-3)

Guidance literature:

In tetrahydrofuran; for 15h; Ambient temperature;

upstream raw materials:

1,2,4-Triazole

1-(2,4-dichlorophenyl)-2,2-dimethoxyethanone

Downstream raw materials:

(1S,2S)-2-(2,4-Dichloro-phenyl)-3-imidazol-1-yl-1-methoxy-1-[1,2,4]triazol-1-yl-propan-2-ol

(1R,2S)-2-(2,4-Dichloro-phenyl)-3-imidazol-1-yl-1-methoxy-1-[1,2,4]triazol-1-yl-propan-2-ol

(1S,2S)-2-(2,4-Dichloro-phenyl)-1-methoxy-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol

(1R,2S)-2-(2,4-Dichloro-phenyl)-1-methoxy-1,3-bis-[1,2,4]triazol-1-yl-propan-2-ol

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