Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl-

Base Information

• Chemical Name: Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl-
• CAS No.: 43109-72-4
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2909309090
• European Community (EC) Number: 256-096-1
• DSSTox Substance ID: DTXSID9068455
• Nikkaji Number: J319.900B
• Wikidata: Q81995191
• Mol file: 43109-72-4.mol

Synonyms:43109-72-4;Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl-;2-tert-Butyl-4-methylanisole;EINECS 256-096-1;2-tert-butyl-1-methoxy-4-methylbenzene;2-t-butyl-4-methylanisol;SCHEMBL1038127;DTXSID9068455;2-(1,1-Dimethylethyl)-1-methoxy-4-methylbenzene

Chemical Property of Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl-

Chemical Property:

• Vapor Pressure: 0.0485mmHg at 25°C
• Melting Point: 16.5 °C
• Boiling Point: 244°C at 760 mmHg
• Flash Point: 86.1°C
• PSA: 9.23000
• Density: 0.907g/cm³
• LogP: 3.30110
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)C(C)(C)C

Technology Process of Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl-

There total 3 articles about Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl- 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: 85.0%

2-tert-Butyl-4-methylphenol (2409-55-4) + dimethyl sulfate (77-78-1) → 2-tert-butyl-1-methoxy-4-methylbenzene (43109-72-4)

Guidance literature:

2-tert-Butyl-4-methylphenol; With sodium hydride; In tetrahydrofuran; at 25 ℃; for 0.5h;

dimethyl sulfate; In tetrahydrofuran; at 20 ℃; for 2h; Further stages.;

DOI:10.1021/ja067754j

Reference yield:

p-methylanizole (104-93-8) + isobutene (115-11-7,15220-85-6) → 2-tert-butyl-1-methoxy-4-methylbenzene (43109-72-4)

Guidance literature:

With sulfuric acid; at 22 - 28 ℃;

Reference yield:

t-butyl bromide (507-19-7) → 2-tert-butyl-1-methoxy-4-methylbenzene (43109-72-4)

Guidance literature:

With diethyl ether;

upstream raw materials:

p-methylanizole

isobutene

t-butyl bromide

2-tert-Butyl-4-methylphenol

Downstream raw materials:

5-tert-butyl-2-methoxybenzoic acid

4-methyl-6-tert-butyl-2-nitroanisole

3-tert-butyl-4-methoxybenzaldehyde

p-cresol