1-(2,4-Dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone
• CAS No.: 58905-16-1
• Molecular Formula: C10H7Cl2N3O
• Molecular Weight: 256.091
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50353396
• Nikkaji Number: J372.633I
• Wikidata: Q63395906
• ChEMBL ID: CHEMBL2063494
• Mol file: 58905-16-1.mol

Synonyms:58905-16-1;1-(2,4-dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone;2',4'-Dichloro-2-(1,2,4 triazol-1yl)acetophenone;1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone;1-(2,4-DICHLOROLPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE;CHEMBL2063494;1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one;Ethanone, 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-;1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazole-1-yl)-ethanone;PRP_M256;SCHEMBL2550587;DTXSID50353396;1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-Ethanone;BDBM50088482;STK700040;AKOS005606791;AC-12528;CS-0326917;FT-0640564;A18949;AB00089351-01;2,4-dichlorophenyl 1,2,4-triazol-1-ylmethyl ketone;Q63395906;1-(2,4-dichlorophenyl)-2-[1,2,4]triazol-1-yl-ethanone;2',4'-dichloro-2-(1H-1,2,4-triazol-1-yl)acetophenone;2-(1H-1,2,4-Triazol-1-yl)-2',4'-dichloro acetophenone;2-(1H-1,2,4-triazol-1-yl)-2',4'-dichloroacetophenone;1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-1-ethanone;1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)-ethan-1-one;1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl) ethanone;1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone;1-(2,4-Dichloro-phenyl)-2-[1,2,4]triazol-1-yl-ethanone;1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone;1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone;2',4'-Dichloro-2-(1,2,4-t

Chemical Property of 1-(2,4-Dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone

Chemical Property:

• Vapor Pressure: 1.5E-07mmHg at 25°C
• Melting Point: 160-161 °C
• Refractive Index: 1.658
• Boiling Point: 428.5°C at 760 mmHg
• PKA: 2.03±0.10(Predicted)
• Flash Point: 213°C
• PSA: 47.78000
• Density: 1.48g/cm³
• LogP: 2.46780
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 254.9966172
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

98%,99%, ^*data from raw suppliers

2',4'-DICHLORO-2-(1,2,4 TRIAZOL-1YL)ACETOPHENONE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=NC=N2
• Uses: 1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is an intermediate in the synthesis of Propiconazole (P770100) related compounds.

Technology Process of 1-(2,4-Dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone

There total 31 articles about 1-(2,4-Dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone 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: 98.0%

1,2,4-Triazole (288-88-0) + 2,2',4'-trichloroacetophenone (4252-78-2) → 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-16-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 85 ℃; for 0.833333h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.03.199

Reference yield: 97.5%

2-(1H-1,2,4-triazol-1-yl)acetyl chloride + 1,3-Dichlorobenzene (541-73-1) → 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-16-1)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; at 5 - 10 ℃; for 6h;

Reference yield: 96.2%

1-(2,4-dichlorophenyl)-2-(4-amino-4H-1,2,4-triazolyl)ethanone hydrochloride → 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-16-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

upstream raw materials:

L-Aspartic acid

carbamimidothioic acid methyl ester

2-methyl-isourea

S-Methylisothiourea sulfate

Downstream raw materials:

2-(2,4-dichlorophenyl)-1,3-di(1H-1,2,4-triazolyl)-2-propanol

Hexanoic acid (Z)-1-(2,4-dichloro-phenyl)-2-[1,2,4]triazol-1-yl-vinyl ester

1-[2-(2,4-dichlorophenyl)-2-hydroxy-4-pentenyl](1H)1,2,4-triazole

1,2-epoxy-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)-propane

Refernces

• 1、 Chavan, Balasaheb B.,Prasanna, G. Lakshmi,Radhakrishnanand,Kosuri, Eswara Raju,Kalariya, Pradipbhai D.,Talluri, M.V.N. Kumar. "Development of a stability-indicating UPLC method for terconazole and characterization of the acidic and oxidative degradation products by UPLC-Q-TOF/MS/MS and NMR". . p. 10761 - 10773. Retrieved 2018.
• 2、 -. "Triazole compound containing dioxolame and preparation method of intermediate of triazole compound". Paragraph 0020-0021. . Retrieved 2021/09/04.
• 3、 -. "insecticide compositions, insecticidal products containing them and methods of eradicating pests using them". Paragraph 0267-0271. . Retrieved 2021/01/29.