5-Tert-butyl-2-methoxyphenol

Base Information

• Chemical Name: 5-Tert-butyl-2-methoxyphenol
• CAS No.: 69770-00-9
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• DSSTox Substance ID: DTXSID80471653
• Nikkaji Number: J175.233B
• Wikidata: Q82300256
• Mol file: 69770-00-9.mol

Synonyms:69770-00-9;5-TERT-BUTYL-2-METHOXYPHENOL;5-(tert-butyl)-2-methoxyphenol;4-t-butylguaiacol;SCHEMBL420149;DTXSID80471653;MB13563

Chemical Property of 5-Tert-butyl-2-methoxyphenol

Chemical Property:

• PSA: 29.46000
• LogP: 2.69830
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Tert-butyl-2-methoxyphenol

There total 11 articles about 5-Tert-butyl-2-methoxyphenol 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: 63.0%

(5-tert-butyl-2-methoxybenzyl)trimethylsilane → 5-tert-butyl-2-methoxyphenol (69770-00-9)

Guidance literature:

With sodium persulfate; oxygen; In acetonitrile; at 55 ℃; for 12h;

DOI:10.1039/c7cc01868a

Reference yield: 62.0%

2-bromo-5-(1,1-dimethylethyl)phenol (20942-68-1) → 5-tert-butyl-2-methoxyphenol (69770-00-9)

Guidance literature:

Reference yield:

4-tert-Butylcatechol (98-29-3) + dimethyl sulfate (77-78-1) → 1,2-dimethoxybenzene (91-16-7) + 5-tert-butyl-2-methoxyphenol (69770-00-9) + 4-t-butyl-2-methoxyphenol (37987-27-2) + 4-(tert-butyl)-1,2-dimethoxybenzene (41280-64-2)

Guidance literature:

With sodium methylate; Yield given. Multistep reaction. Title compound not separated from byproducts; 1.) MeOH, 15 min, reflux; 2.) 3 h, reflux;

upstream raw materials:

benzene-1,2-diol

dimethyl sulfate

tert-butyl alcohol

4-tert-Butylcatechol

Downstream raw materials:

4-(tert-butyl)-1,2-dimethoxybenzene