p-tert-Butoxyanisole

Base Information

• Chemical Name: p-tert-Butoxyanisole
• CAS No.: 15360-00-6
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• Hs Code.: 2909309090
• European Community (EC) Number: 239-397-2
• UNII: 2ESX92WW6E
• DSSTox Substance ID: DTXSID40165369
• Nikkaji Number: J99.566E
• Wikidata: Q83034516
• Mol file: 15360-00-6.mol

Synonyms:p-tert-Butoxyanisole;15360-00-6;Benzene, 1-tert-butoxy-4-methoxy-;4-tert-butoxyanisole;Benzene, 1-(1,1-dimethylethoxy)-4-methoxy-;1-methoxy-4-[(2-methylpropan-2-yl)oxy]benzene;2ESX92WW6E;EINECS 239-397-2;4-t-butoxyanisole;4-(tert-Butoxy)anisole;UNII-2ESX92WW6E;t-butyl 4-methoxyphenyl ether;SCHEMBL5285766;1-tert-butoxy-4-methoxy-benzene;DTXSID40165369;1-tert-Butoxy-4-methoxybenzene #;MFCD26720802;SY298933;1-(1,1-Dimethylethoxy)-4-methoxybenzene

Chemical Property of p-tert-Butoxyanisole

Chemical Property:

• Vapor Pressure: 0.043mmHg at 25°C
• Boiling Point: 246.3°Cat760mmHg
• Flash Point: 86.6°C
• PSA: 18.46000
• Density: 0.963g/cm³
• LogP: 2.87250
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)OC

Technology Process of p-tert-Butoxyanisole

There total 25 articles about p-tert-Butoxyanisole 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: 94.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-methoxy-phenol (150-76-5) → p-tert-butoxyanisole (15360-00-6)

Guidance literature:

scandium tris(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 16h; Further Variations:; Catalysts; Solvents; Temperatures; Product distribution;

DOI:10.1021/jo061402d

Reference yield: 92.0%

t-butyl bromide (507-19-7) + 4-methoxy-phenol (150-76-5) → p-tert-butoxyanisole (15360-00-6)

Guidance literature:

With 2PbCO₃Pb(OH)2; at 40 ℃; for 1.5h;

DOI:10.1080/00397910701470578

Reference yield: 87.0%

4-chloromethoxybenzene (623-12-1) + sodium t-butanolate (865-48-5) → p-tert-butoxyanisole (15360-00-6)

Guidance literature:

With di-tert-butyl (2'-methyl-[1,1'-biphenyl]-2-yl)phosphine; palladium diacetate; In toluene; at 100 ℃;

DOI:10.1021/jo001426z

upstream raw materials:

t-butyl bromide

4-methoxy-phenol

isobutene

trichloroacetic acid

Downstream raw materials:

4-methoxy-2-nitrophenol

4-hydroxy-2-nitroanisole

4-methoxy-2,6-dinitrophenol

3-tert-Butyl-4-hydroxyanisole