Epoxiconazol

Base Information

• Chemical Name: Epoxiconazol
• CAS No.: 106325-08-0
• Molecular Formula: C17H13ClFN3O
• Molecular Weight: 329.761
• Hs Code.: 2933199090
• European Community (EC) Number: 600-739-4
• Wikipedia: Epoxiconazole,Opal
• Mol file: 106325-08-0.mol

Synonyms:(2RS,35R) 1-(3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1H-1,2,4-triazole;epoxiconazol;epoxiconazole;epoxyconazole

Chemical Property of Epoxiconazol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 463.1oC at 760 mmHg
• Flash Point: 233.9oC
• PSA: 43.24000
• Density: 1.39 g/cm3
• LogP: 3.73760
• Storage Temp.: 0-6°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.0731179
• Heavy Atom Count: 23
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn;N,N,Xn
• Statements: 40-51/53-62-63
• Safety Statements: 36/37-46-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)[C@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl
• Uses: Epoxiconazole is a pesticide which has been classified by the EPA likely to be carcinogenic.

Technology Process of Epoxiconazol

There total 8 articles about Epoxiconazol 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: 81.0%

1,2,4-Triazole (288-88-0) + (2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranemethylmethanesulfonate → epoxiconazole (106325-08-0,133855-98-8)

Guidance literature:

1,2,4-Triazole; (2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranemethylmethanesulfonate; With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 18h;

In water; dimethyl sulfoxide; at 20 ℃; for 0.5h; Product distribution / selectivity;

Reference yield: 71.0%

1,2,4-Triazole (288-88-0) + (2S,3R)-2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane (133024-33-6) → epoxiconazole (106325-08-0,133855-98-8)

Guidance literature:

1,2,4-Triazole; (2S,3R)-2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane; With potassium carbonate; In dimethyl sulfoxide; at 50 ℃; for 13h;

In water; dimethyl sulfoxide; at 50 ℃; for 0.5h; Product distribution / selectivity;

Reference yield: 64.0%

1,2,4-Triazole (288-88-0) + (2S,3R)-2-(bromomethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane → epoxiconazole (106325-08-0,133855-98-8)

Guidance literature:

1,2,4-Triazole; (2S,3R)-2-(bromomethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane; With potassium carbonate; In dimethyl sulfoxide; at 50 ℃; for 18h;

In water; dimethyl sulfoxide; at 50 ℃; for 0.5h; Product distribution / selectivity;

upstream raw materials:

1,2,4-Triazole

(2S,3R)-2-(chloromethyl)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxirane

1-(4-fluorophenyl)ethanone

2-bromo-4'-fluoroacetophenone

Refernces

• 1、 Lei, Shuo,Li, Xianhui,Wang, Yang,Sun, Lirong,Liu, Hao,Zhao, Longshan. "Synthesis of magnetic multiwall carbon nanotubes for enantioseparation of three pesticide residues in fruits and vegetables by chiral liquid chromatography". . p. 1321 - 1329. Retrieved 2018/11/03.