Benzene, 1-ethenyl-2-(1-methylethoxy)-

Base Information

• Chemical Name: Benzene, 1-ethenyl-2-(1-methylethoxy)-
• CAS No.: 67191-35-9
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• European Community (EC) Number: 879-034-0
• DSSTox Substance ID: DTXSID50420138
• Nikkaji Number: J1.068.222C
• Wikidata: Q82231358
• Mol file: 67191-35-9.mol

Synonyms:ortho-isopropoxystyrene;2-isopropoxystyrene;UPCMLD00WV-118;o-isopropoxystyrene;2-i-propoxystyrene;1-isopropoxy-2-vinyl-benzene;

Chemical Property of Benzene, 1-ethenyl-2-(1-methylethoxy)-

Chemical Property:

• Boiling Point: 231.2±9.0 °C(Predicted)
• PSA: 9.23000
• Density: 0.938±0.06 g/cm3(Predicted)
• LogP: 3.11680
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

1-ethynyl-2-(propan-2-yloxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC=C1C=C

Technology Process of Benzene, 1-ethenyl-2-(1-methylethoxy)-

There total 8 articles about Benzene, 1-ethenyl-2-(1-methylethoxy)- 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: 89.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 2-isopropoxybenzaldehyde (22921-58-0) → o-isopropoxystyrene (67191-35-9)

Guidance literature:

With potassium 2-methylbutan-2-olate; In toluene; at -20 ℃; for 1h;

DOI:10.1002/chem.202003830

Reference yield:

1-hexene (592-41-6,25067-06-5) + Hoveyda-Grubbs catalyst second generation (301224-40-8) + p-chlorophenyl isocyanide (1885-81-0) → o-isopropoxystyrene (67191-35-9) + C52H50Cl5N5ORu

Guidance literature:

1-hexene; Hoveyda-Grubbs catalyst second generation; In toluene; at 30 ℃; UV-irradiation; Inert atmosphere;

p-chlorophenyl isocyanide; In toluene; for 0.4h; Kinetics; Inert atmosphere;

DOI:10.1021/jacs.6b01887

Reference yield:

salicylaldehyde (90-02-8) → o-isopropoxystyrene (67191-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; caesium carbonate / acetonitrile / 24 h / 50 °C

2: potassium 2-methylbutan-2-olate / toluene / 1 h / -20 °C

With potassium 2-methylbutan-2-olate; potassium carbonate; caesium carbonate; In toluene; acetonitrile;

DOI:10.1002/chem.202003830

upstream raw materials:

Methyltriphenylphosphonium bromide

2-isopropoxybenzaldehyde

1-hexene

Hoveyda-Grubbs catalyst second generation

Downstream raw materials:

(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)Cl₂Ru=CH-o-OiPrC₆H₄

Hoveyda-Grubbs catalyst second generation

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