1-Propanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-

Base Information

• Chemical Name: 1-Propanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-
• CAS No.: 58905-30-9
• Molecular Formula: C₁₁H₉Cl₂N₃O
• Molecular Weight: 270.118
• DSSTox Substance ID: DTXSID10385991
• ChEMBL ID: CHEMBL1740371

Synonyms:58905-30-9;1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one;1-Propanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-;1-(2,4-Dichloro-phenyl)-2-[1,2,4]triazol-1-yl-propan-1-one;CBMicro_022839;CHEMBL1740371;SCHEMBL10528860;DTXSID10385991;ZBJSYASLBGRVFE-UHFFFAOYSA-N;HMS1607N03;2',4'-dichloro-2-(1H-1,2,4-triazol-1-yl)propiophenone

Chemical Property of 1-Propanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 269.0122673
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Propanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-

There total 1 articles about 1-Propanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 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:

→ 2',4'-dichloro-2-(1H-1,2,4-triazol-1-yl)propiophenone (58905-30-9)

Guidance literature:

Reference yield: 78.0%

acetic anhydride (108-24-7) + 2',4'-dichloro-2-(1H-1,2,4-triazol-1-yl)propiophenone (58905-30-9) → Acetic acid (Z)-1-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-yl-propenyl ester

Guidance literature:

With pyridine; In tetrachloromethane; Heating;

DOI:10.1007/BF00696985

Reference yield: 63.0%

methyl magnesium iodide (917-64-6) + 2',4'-dichloro-2-(1H-1,2,4-triazol-1-yl)propiophenone (58905-30-9) → (2R,3S/2S,3R)-2-(2,4-Dichlorphenyl)-3-(1H-1,2,4-triazol-1-yl)-2-butanol (106836-76-4)

Guidance literature:

In diethyl ether; for 2h; Heating;

Downstream raw materials:

(2R,3S/2S,3R)-2-(2,4-Dichlorphenyl)-3-(1H-1,2,4-triazol-1-yl)-2-butanol

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