4-(tert-Butoxy)phenol

Base Information

• Chemical Name: 4-(tert-Butoxy)phenol
• CAS No.: 2460-87-9
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 2909500000
• European Community (EC) Number: 672-532-7
• UNII: 4W56A32OU8
• DSSTox Substance ID: DTXSID90179350
• Nikkaji Number: J1.519.105H
• Wikidata: Q27260581
• Mol file: 2460-87-9.mol

Synonyms:4-(tert-Butoxy)phenol;2460-87-9;4-tert-Butoxyphenol;p-Tert-butoxyphenol;Phenol, 4-(1,1-dimethylethoxy)-;4-[(2-methylpropan-2-yl)oxy]phenol;Phenol, p-tert-butoxy-;4-t-butoxyphenol;Phenol,4-(1,1-dimethylethoxy)-;UNII-4W56A32OU8;4W56A32OU8;Hydroquinone Mono-tert-butyl Ether;MFCD02183556;4-tert-butoxy-phenol;SCHEMBL57369;DTXSID90179350;CIICLJLSRUHUBY-UHFFFAOYSA-N;CAA46087;STR08098;BBL102775;STL556581;AKOS005255235;PS-3355;B2390;CS-0000204;FT-0676514;F16212;A813756;A877862;Q27260581

Chemical Property of 4-(tert-Butoxy)phenol

Chemical Property:

• Vapor Pressure: 0.00621mmHg at 25°C
• Melting Point: 157-159°C
• Boiling Point: 263.7°Cat760mmHg
• PKA: 10.37±0.15(Predicted)
• Flash Point: 114.4°C
• PSA: 29.46000
• Density: 1.029g/cm³
• LogP: 2.56950
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(tert-Butoxy)phenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(tert-Butoxy)phenol

There total 6 articles about 4-(tert-Butoxy)phenol 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: 80.0%

4-tert-butoxychlorobenzene (18995-35-2) → 4-(tert-butoxy)phenol (2460-87-9)

Guidance literature:

With copper acetylacetonate; N¹-(4-hydroxy-2,6-dimethylphenyl)-N²-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water; In water; dimethyl sulfoxide; at 130 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.6b08114

Reference yield:

tert-butyl methyl ether (1634-04-4) + hydroquinone (123-31-9,8027-02-9) → 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,5-bis(1,1-dimethylethyl)-1,4-benzenediol (88-58-4) + 4-(tert-butoxy)phenol (2460-87-9) + tert-butylhydroquinone (1948-33-0)

Guidance literature:

With 3-(4-sulfobutylamino)propylsilanized MCM-41; In nitrobenzene; at 150 ℃; for 0.133333h; Concentration; chemoselective reaction; Catalytic behavior; Microwave irradiation; Green chemistry;

DOI:10.1016/j.apcata.2012.09.055

Reference yield:

4-bromo-t-butoxybenzene + Triisopropyl borate (5419-55-6) → 4-(tert-butoxy)phenol (2460-87-9)

Guidance literature:

With dihydrogen peroxide; sec.-butyllithium; acetic acid; In tetrahydrofuran; hexane;

upstream raw materials:

hydroquinone

tert-butyl alcohol

Triisopropyl borate

tert-butyl methyl ether

Downstream raw materials:

4-(5'-nitropyrid-2'-yloxy)phenyl tert.-butyl ether

2-methyl-(3,4,6-tri-O-benzyl-1,2-dideoxy-α-D-glucopyrano)-<2,1-d>-2-oxazoline

3,4,6-tri-O-benzyl-2-acetamido-2-deoxyamino-α-D-glucopyranose

Refernces

• 1、 Ng, Eng-Poh,Mohd Subari, Siti Norbayu,Marie, Olivier,Mukti, Rino R.,Juan, Joon-Ching. "Sulfonic acid functionalized MCM-41 as solid acid catalyst for tert-butylation of hydroquinone enhanced by microwave heating". . p. 34 - 41. Retrieved 2013/02/25.
• 2、 -. "Angiotensin II antagonist intermediates". . . Retrieved 2008/06/13.