2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane

Base Information

• Chemical Name: 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane
• CAS No.: 80443-63-6
• Molecular Formula: C14H19 Cl O
• Molecular Weight: 238.757
• European Community (EC) Number: 617-070-9
• UNII: XUC5FVS02C
• DSSTox Substance ID: DTXSID5042247
• Nikkaji Number: J1.584.467A
• Wikidata: Q27894141
• ChEMBL ID: CHEMBL3184534
• Mol file: 80443-63-6.mol

Synonyms:80443-63-6;2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane;2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane;2-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane;2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethyl)-oxirane;XUC5FVS02C;DTXSID5042247;Oxirane, 2-(2-(4-chlorophenyl)ethyl)-2-(1,1-dimethylethyl)-;2-tert-Butyl-2-(2-(4-chlorophenyl)ethyl)oxirane;2-tert-Butyl-2-(4-chlorophenethyl)oxirane;2-(2-(4-chlorophenyl)ethyl)-2-(1,1-dimethylethyl)-oxirane;Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-;Tebuconazol precursor;2-[2-(4-Chlorophenyl) ethyl]-2-(1,1-dimethyl) Oxirane;UNII-XUC5FVS02C;SCHEMBL454620;CHEMBL3184534;DTXCID3022247;Tox21_301539;AC-254;MFCD01938345;AKOS015850345;NCGC00255826-01;BS-22954;CAS-80443-63-6;LS-100603;2-(4-chlorophenylethyl)-2-tert-butyloxirane;B3290;CS-0205408;FT-0654961;2-(4-chlorophenylethyl)-2-tert.-butyloxirane;2-(4-chlorophenylethyl)-2-tert.-butyl-oxirane;D88999;2-(4-chloro-phenylethyl)-2-tert.-butyl-oxirane;2-(4-chlorophenyl-ethyl)-2-tert.-butyl-oxirane;2-tert.-butyl-2-(4-chloro-phenyl-ethyl)-oxirane;J-505418;Q27894141;2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethyl-ethyl)-oxirane

Chemical Property of 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane

Chemical Property:

• Appearance/Colour: Light yellow to yellow liquid
• Vapor Pressure: 0.00181mmHg at 25°C
• Refractive Index: 1.5150-1.5190
• Boiling Point: 302.1 °C at 760 mmHg
• Flash Point: 138.4 °C
• PSA: 12.53000
• Density: 1.089 g/cm³
• LogP: 4.08770
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 238.1124429
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

2-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1(CO1)CCC2=CC=C(C=C2)Cl

Technology Process of 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)oxirane

There total 5 articles about 2-(2-(4-Chlorophenyl)ethyl)-2-(1,1-dimethylethyl)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: 99.6%

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one (66346-01-8) + dimethyl sulfate (77-78-1) → 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)ethylene oxide (80443-63-6)

Guidance literature:

dimethyl sulfate; With p-propoxybenzyl sulfide; at 90 ℃; for 2h;

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one; With potassium hydroxide; In toluene; at 50 ℃; for 4h; Reagent/catalyst; Concentration; Temperature;

Reference yield: 99.2%

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one (66346-01-8) + methyl iodide (74-88-4) → 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)ethylene oxide (80443-63-6)

Guidance literature:

methyl iodide; With p-propoxybenzyl sulfide; at 90 ℃; for 2h;

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one; With potassium hydroxide; In toluene; at 0 ℃; for 4h;

Reference yield: 95.0%

trimethylsulfonium chloride (3086-29-1) + 1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one (66346-01-8) → 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)ethylene oxide (80443-63-6)

Guidance literature:

trimethylsulfonium chloride; 1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one; With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 0.5h;

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one; In toluene; at 80 ℃; for 10h; Solvent; Temperature;

upstream raw materials:

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one

dimethyl sulfate

methyl iodide

trimethylsulphonium bromide

Downstream raw materials:

C₁₇H₂₁Cl₂NOS

tebuconazole

tebuconazole

Refernces

• 1、 -. "Synthesis method for ethylene oxide derivative". Paragraph 0037; 0038; 0039; 0040-0048; 0052-0078. . Retrieved 2018/01/11.