2-(2-Methylphenyl)oxirane

Base Information

• Chemical Name: 2-(2-Methylphenyl)oxirane
• CAS No.: 2783-26-8
• Molecular Formula: C₉H₁₀O
• Molecular Weight: 134.178
• Hs Code.: 2910900090
• European Community (EC) Number: 865-219-3
• DSSTox Substance ID: DTXSID90950505
• Nikkaji Number: J501.893E
• Mol file: 2783-26-8.mol

Synonyms:2-(2-methylphenyl)oxirane;2-MPO

Chemical Property of 2-(2-Methylphenyl)oxirane

Chemical Property:

• Vapor Pressure: 0.182mmHg at 25°C
• Boiling Point: 218.9°Cat760mmHg
• Flash Point: 81.3°C
• PSA: 12.53000
• Density: 1.075g/cm³
• LogP: 2.06630
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

2-(2-methylphenyl)oxirane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2CO2

Technology Process of 2-(2-Methylphenyl)oxirane

There total 14 articles about 2-(2-Methylphenyl)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: 96.0%

trimethylsulphonium iodide (2181-42-2) + 2-methylphenyl aldehyde (529-20-4) → o-methylstyrene oxide (2783-26-8,86457-70-7,1195902-11-4)

Guidance literature:

trimethylsulphonium iodide; With sodium hydroxide; In water; for 0.166667h;

2-methylphenyl aldehyde; With 1,3-bis[3,5-bis(trifluoromethyl)phenyl]urea; In dichloromethane; water; at 20 ℃; for 85h; Inert atmosphere;

DOI:10.1039/b719767e

Reference yield: 96.0%

2-methylphenyl aldehyde (529-20-4) + methyl trifluoromethanesulfonate (333-27-7) → o-methylstyrene oxide (2783-26-8,86457-70-7,1195902-11-4)

Guidance literature:

2-methylphenyl aldehyde; methyl trifluoromethanesulfonate; With thiophene; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; In dichloromethane; at 20 ℃; for 0.416667h; Inert atmosphere;

With 1-tert-butyl-2,2,4,4,4-pentakis(dimethylamino)-2Λ⁵,4Λ⁵-catenadi(phosphazene); In tetrahydrofuran; dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol902816w

Reference yield: 89.0%

Chloroiodomethane (593-71-5) + 2-methylphenyl aldehyde (529-20-4) → o-methylstyrene oxide (2783-26-8,86457-70-7,1195902-11-4)

Guidance literature:

Chloroiodomethane; With TurboGrignard; In tetrahydrofuran; at -20 ℃; for 0.000277778h; Flow reactor;

2-methylphenyl aldehyde; In tetrahydrofuran; at -20 ℃; for 0.000444444h; Flow reactor;

With sodium hydroxide; In tetrahydrofuran; water;

DOI:10.1021/acs.orglett.0c02725

upstream raw materials:

1-methyl-2-vinyl-benzene

C₁₆H₁₇N₂O₃S^(1-)*Na⁽¹⁺⁾

trimethylsulphonium iodide

2-methylphenyl aldehyde

Downstream raw materials:

2-[2-(2-Chloro-3,4-dimethoxy-phenyl)-ethylamino]-1-o-tolyl-ethanol

N-phenylethylhydroxylamine

2-methyl-benzeneacetaldehyde

C₉H₉⁽²⁾HO