1-tert-butyl-3-ethoxybenzene

Base Information

• Chemical Name: 1-tert-butyl-3-ethoxybenzene
• CAS No.: 133073-81-1
• Molecular Formula: C12H18O
• Molecular Weight: 178.27100
• Mol file: 133073-81-1.mol

Synonyms:

Chemical Property of 1-tert-butyl-3-ethoxybenzene

Chemical Property:

• Boiling Point: 235.6±19.0 °C(Predicted)
• PSA: 9.23000
• Density: 0.906±0.06 g/cm3(Predicted)
• LogP: 3.38280

Purity/Quality:

98% ^*data from raw suppliers

1-(tert-Butyl)-3-ethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-tert-butyl-3-ethoxybenzene

There total 4 articles about 1-tert-butyl-3-ethoxybenzene 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: 97.0%

diethyl sulfate (64-67-5) + 3-tert-butylphenyol (585-34-2) → 1-(tert-butyl)-3-ethoxybenzene (133073-81-1)

Guidance literature:

3-tert-butylphenyol; With potassium hydroxide; In toluene; at 70 ℃;

diethyl sulfate; Heating;

DOI:10.1021/acs.orglett.7b00885

Reference yield:

2-phenoxypyridine (4783-68-0) → 1-(tert-butyl)-3-ethoxybenzene (133073-81-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: (adamant-1-yl)-acetic acid; potassium carbonate; [RhCl₂(p-cymene)]2 / benzene / 24 h / 120 °C / Sealed tube; Inert atmosphere

2.1: methyl trifluoromethanesulfonate / toluene / 2 h / 100 °C / Inert atmosphere

2.2: 0.25 h / Inert atmosphere; Reflux

3.1: potassium hydroxide / toluene / 70 °C

3.2: Heating

With [RhCl₂(p-cymene)]2; potassium carbonate; (adamant-1-yl)-acetic acid; methyl trifluoromethanesulfonate; potassium hydroxide; In toluene; benzene;

DOI:10.1021/acs.orglett.7b00885

Reference yield:

phenol (108-95-2,27073-41-2) → 1-(tert-butyl)-3-ethoxybenzene (133073-81-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: copper(l) iodide; 2-Picolinic acid; potassium phosphate / dimethyl sulfoxide / 24 h / 90 °C / Inert atmosphere

2.1: (adamant-1-yl)-acetic acid; potassium carbonate; [RhCl₂(p-cymene)]2 / benzene / 24 h / 120 °C / Sealed tube; Inert atmosphere

3.1: methyl trifluoromethanesulfonate / toluene / 2 h / 100 °C / Inert atmosphere

3.2: 0.25 h / Inert atmosphere; Reflux

4.1: potassium hydroxide / toluene / 70 °C

4.2: Heating

With 2-Picolinic acid; potassium phosphate; copper(l) iodide; [RhCl₂(p-cymene)]2; potassium carbonate; (adamant-1-yl)-acetic acid; methyl trifluoromethanesulfonate; potassium hydroxide; In dimethyl sulfoxide; toluene; benzene;

DOI:10.1021/acs.orglett.7b00885

upstream raw materials:

diethyl sulfate

3-tert-butylphenyol

2-phenoxypyridine

phenol

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