1-Tert-butyl-4-propoxybenzene

Base Information

• Chemical Name: 1-Tert-butyl-4-propoxybenzene
• CAS No.: 108318-78-1
• Molecular Formula: C13H20O
• Molecular Weight: 192.301
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID80408202
• Nikkaji Number: J1.731.966C
• Wikidata: Q82213585
• Mol file: 108318-78-1.mol

Synonyms:1-tert-butyl-4-propoxybenzene;108318-78-1;1-(tert-Butyl)-4-propoxybenzene;Benzene, 1-(1,1-dimethylethyl)-4-propoxy-;SCHEMBL271059;4-tert-butyl-1-n-propoxybenzene;DTXSID80408202;SESHYPWSAOBSOY-UHFFFAOYSA-N;AB3508;MFCD06277649;AKOS002710142;AS-44715;CS-0335453

Chemical Property of 1-Tert-butyl-4-propoxybenzene

Chemical Property:

• PSA: 9.23000
• LogP: 3.77290
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

1-(tert-Butyl)-4-propoxybenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C(C)(C)C

Technology Process of 1-Tert-butyl-4-propoxybenzene

There total 3 articles about 1-Tert-butyl-4-propoxybenzene 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: 86.0%

allyl p-cymyl ether (24806-16-4) → para-tert-butylphenol (98-54-4) + 1-(4'-tert-butylphenoxy) propane (108318-78-1)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2004.05.097

Reference yield:

propyl fluoride (460-13-9) + para-tert-butylphenol (98-54-4) → 1-(4'-tert-butylphenoxy) propane (108318-78-1)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; at 20 ℃;

Reference yield:

para-tert-butylphenol (98-54-4) + propyl bromide (106-94-5) → 1-(4'-tert-butylphenoxy) propane (108318-78-1)

Guidance literature:

With ethanol; sodium ethanolate;

upstream raw materials:

para-tert-butylphenol

propyl bromide

allyl p-cymyl ether

propyl fluoride

Downstream raw materials:

1-n-propoxy-4-t-butyl-2,6-dinitrobenzene

2-propanoylamino-4-t-butyl-6-nitrophenols