2-(2,4-Dichlorophenyl)oxirane

Base Information

• Chemical Name: 2-(2,4-Dichlorophenyl)oxirane
• CAS No.: 13692-15-4
• Molecular Formula: C8H6 Cl2 O
• Molecular Weight: 189.041
• Hs Code.: 2910900090
• European Community (EC) Number: 237-207-2
• DSSTox Substance ID: DTXSID60929581
• Nikkaji Number: J277.995A
• Mol file: 13692-15-4.mol

Synonyms:2-(2,4-dichlorophenyl)oxirane;13692-15-4;(2,4-Dichlorophenyl)oxirane;Oxirane,2-(2,4-dichlorophenyl)-;EINECS 237-207-2;SCHEMBL1583058;DTXSID60929581;AKOS000149405;(2R)-2-(2,4-dichlorophenyl)-oxirane;CS-0263958;FT-0697649;EN300-91176;F79319;J-500914;Z278165236

Chemical Property of 2-(2,4-Dichlorophenyl)oxirane

Chemical Property:

• Vapor Pressure: 0.047mmHg at 25°C
• Boiling Point: 244.6°Cat760mmHg
• Flash Point: 115.6°C
• PSA: 12.53000
• Density: 1.428g/cm³
• LogP: 3.06470
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2,4-Dichlorophenyl)-oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)C2=C(C=C(C=C2)Cl)Cl

Technology Process of 2-(2,4-Dichlorophenyl)oxirane

There total 6 articles about 2-(2,4-Dichlorophenyl)oxirane 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: 93.0%

trimethylsulphonium iodide (2181-42-2) + 2,4-dichlorobenzaldeyhde (874-42-0) → 2-(2,4-dichlorophenyl)oxirane (13692-15-4)

Guidance literature:

With potassium hydroxide; In water; acetonitrile; at 60 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.04.047

Reference yield: 32.0%

2,4-dichlorophenacyl bromide (2631-72-3) → 2-(2,4-dichlorophenyl)oxirane (13692-15-4)

Guidance literature:

2,4-dichlorophenacyl bromide; With sodium tetrahydroborate; In methanol; at 0 ℃;

With potassium carbonate;

DOI:10.1002/adsc.202000898

Reference yield:

diiodomethane (75-11-6) + 2,4-dichlorobenzaldeyhde (874-42-0) → 2-(2,4-dichlorophenyl)oxirane (13692-15-4)

Guidance literature:

With methyllithium lithium bromide; In tetrahydrofuran; hexanes; at 0 - 20 ℃; for 2h;

upstream raw materials:

trimethylsulfonium methylsulfate

2,4-dichlorobenzaldeyhde

trimethylsulphonium iodide

diiodomethane

Downstream raw materials:

1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-ol

2-cyclobutylamino-1-(2,4-dichloro-phenyl)-ethanol

2,4-dichloro-α-methylbenzyl alcohol

(R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethan-1-amine

Refernces

• 1、 Ramírez-Villalva, Alejandra,González-Calderón, Davir,González-Romero, Carlos,Morales-Rodríguez, Macario,Jauregui-Rodríguez, Bertha,Cuevas-Yá?ez, Erick,Fuentes-Benítes, Aydeé. "A facile synthesis of novel miconazole analogues and the evaluation of their antifungal activity". . p. 275 - 279. Retrieved 2015.
• 2、 Li, Fu-Long,Qiu, Yan-Yan,Zheng, Yu-Cong,Chen, Fei-Fei,Kong, Xu–Dong,Xu, Jian-He,Yu, Hui-Lei. "Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds". supporting information. p. 4699 - 4706. Retrieved 2020/09/21.