2,4,6-Tri-tert-butylphenol supplier

Name
2,4,6-Tri-tert-butylphenol
EINECS 211-989-5
CAS No. 732-26-3
Article Data102
CAS DataBase
Density 0.911 g/cm³
Solubility insoluble in water
Melting Point 125-130 °C(lit.)
Formula C₁₈H₃₀O
Boiling Point 278 °C at 760 mmHg
Molecular Weight 262.436
Flash Point 129.3 °C
Transport Information UN 2430 8/PG 3
Appearance yellow crystalline powder
Safety 26-36/37/39-45-60-61-24/25
Risk Codes 11-22-34-50-53-36/37/38-51/53
Molecular Structure
Hazard Symbols Xi
Synonyms Phenol,2,4,6-tri-tert-butyl- (6CI,7CI,8CI);2,4,6-Tri-t-butylphenol;2,4,6-Tri-tert-butyl-1-hydroxybenzene;2,4,6-Tris(1,1-dimethylethyl)phenol;2,4,6-Tris(tert-butyl)phenol;Alkofen B;NSC 14459;P 23;P 23 (phenol);TM 02;Tri-tert-butylphenol;Voidox;
PSA 20.23000
LogP 5.28470

Synthetic route

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: C39H17F33Fe4S8(3-)*2C16H36N(1+)

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: C39H17F33Fe4S8(2-)*2C16H36N(1+)

Conditions

Conditions	Yield
With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate]	A 50% B 100%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butyl phenoxyl radical

: fac-[Re(SHSbpy)(CO)3Cl](1-)

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: C13H6ClN2O3ReS2(1-)

C: fac-[Re(1,2-dithiino[4,3-b:5,6-b′]dipyridine)(CO)3Cl]

D: fac-[Re(S2bpy)(CO)3Cl](2-)

Conditions

Conditions	Yield
In [D3]acetonitrile at -30℃; for 0.116667h;	A 100% B n/a C n/a D n/a

...Expand

: thiol

: C47H72Fe4NS7(1-)

A: {Fe4S4(S-2,4,6-(i-Pr)3C6H2)4}(1-)

B: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With 2,4,6-tri-tert-butylphenoxyl	A 20% B 90%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: C72H116Fe4S8(3-)*2C16H36N(1+)

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: C72H116Fe4S8(2-)*2C16H36N(1+)

Conditions

Conditions	Yield
With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate]	A 65% B 85%

...Expand

: 1988-75-6
4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one

: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
In isopropyl alcohol for 1h; Heating;	80%
With picoline In ethylene glycol at 110℃; for 1h;	80%

: 15988-11-1
4-Phenylurazole

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 1,2-Bis-(1,3,5-tri-tert-butyl-4-oxo-cyclohexa-2,5-dien-1-yl)-4-phenyl-1,2,4-triazolidin-3,5-dion

Conditions

Conditions	Yield
In benzene at 25℃; for 7h;	A n/a B 78%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: 2210-63-1
mofebutazone

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4-n-Butyl-1-(1,3,5-tri-tert-butyl-4-oxo-cyclohexa-2,5-dien-1-yl)-2-phenyl-pyrazolidin-3,5-dion

Conditions

Conditions	Yield
In benzene at 25℃; for 2.5h;	A 50% B 78%

...Expand

: 75-21-8
oxirane

: 128-39-2
2,6-di-tert-butylphenol

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 3673-68-5
2-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol

C: 1296885-00-1
2,6-di-tert-butyl-4,4-bis(2-hydroxyethyl)cyclohexa-2,5-dien-1-one

D: 39169-63-6
ethylene glycol 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-ethyl ether

Conditions

Conditions	Yield
With tin(IV) chloride In Trichloroethylene at -10 - 10℃;	A 4% B 75% C n/a D n/a

...Expand

: 96455-63-9
{Fe4S4(S-2,4,6-(i-Pr)3C6H2)4}(3-)

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

A: {Fe4S4(S-2,4,6-(i-Pr)3C6H2)4}(2-)

B: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With [hydrogen(diethyl ether)][tetra[3,5-bis(trifluoromethyl)phenyl]borate]	A 75% B 50%

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 96-76-4
2,4-di-tert-Butylphenol

C: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 24% B 67% C 9%

...Expand

: 128-39-2
2,6-di-tert-butylphenol

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

C: 2,4,6-tri-tert-butyl-6-(3,5-di-tert-butyl-4-hydroxyphenyl)cyclohexa-2,4-dien-1-one

D: 2,4,6-tri-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxyphenyl)cyclohexa-2,5-dien-1-one

Conditions

Conditions	Yield
With triethylamine In benzene Product distribution; varying time-interval before addition of reag.; varying amount of reag.;	A 66% B 29% C 44% D 25%
With triethylamine In benzene at 6 - 8℃; Further byproducts given;	A 66% B 29% C 42% D 25%
With triethylamine In benzene at 6 - 8℃;	A 66% B 29% C 42% D 25%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: 53638-98-5
2-(4-methoxy-phenyl)-2,3-dihydro-phthalazine-1,4-dione

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 140902-43-8
2,3-Dihydro-2-(4-methoxyphenyl)-3-(1,3,5-tri-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl)phthalazin-1,4-dion

Conditions

Conditions	Yield
With magnesium sulfate; potassium carbonate In chlorobenzene Yield given;	A n/a B 65%
With magnesium sulfate; potassium carbonate In chlorobenzene Yields of byproduct given;	A n/a B 65%

...Expand

: 591-22-0
3,5-Lutidine

: 1988-75-6
4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4166-86-3
2,4-di-tert-butyl-6-chlorophenol

C: 78657-09-7
C21H29NO

D: 73405-44-4
2-(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-oxy)ethanol

Conditions

Conditions	Yield
In ethylene glycol at 110℃; for 1h; Further byproducts given;	A 8% B n/a C 60% D 15%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: 5439-98-5
2-phenyl-2,3-dihydro-phthalazine-1,4-dione

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 140902-42-7
2,3-Dihydro-2-phenyl-3-(1,3,5-tri-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl)phthalazin-1,4-dion

Conditions

Conditions	Yield
With magnesium sulfate; potassium carbonate In chlorobenzene Yield given;	A n/a B 60%
With magnesium sulfate; potassium carbonate In chlorobenzene Yields of byproduct given;	A n/a B 60%

...Expand

: 765-69-5
2-Methylcyclopentane-1,3-dione

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

C: 2-Methyl-2-(3,5-di-tert-butyl-2-hydroxy-1-phenyl)-cyclopentan-1,3-dion

Conditions

Conditions	Yield
In benzene at 25℃; for 9h;	A 54% B 58% C 32%

...Expand

: 1665-87-8
2,4,6-tri-t-butyl-4-nitrocyclohexa-2,5-dien-1-one

A: 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone

B: 732-26-3
2,4,6-tri-tert-butylphenoxol

C: 3383-21-9
3,5-di-tert-butyl-o-benzoquinone

D: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

Conditions

Conditions	Yield
In methanol at 30℃; for 70h; Further byproducts given;	A 3% B 13% C 18% D 58%

...Expand

: 1665-87-8
2,4,6-tri-t-butyl-4-nitrocyclohexa-2,5-dien-1-one

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 3383-21-9
3,5-di-tert-butyl-o-benzoquinone

C: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

D: 100699-37-4
2,4-di-t-butyl-4,6-dimethoxycyclohexa-2,5-dienone

Conditions

Conditions	Yield
In methanol at 30℃; for 70h; Further byproducts given;	A 13% B 18% C 58% D 6%

...Expand

: 38442-51-2
tert-butylmercury chloride

: 37408-22-3
potassium 2,4-di-tert-butylphenolate

: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With 18-crown-6 ether In N,N,N,N,N,N-hexamethylphosphoric triamide at 35 - 40℃; for 2h; Irradiation;	58%
With 18-crown-6 ether In N,N,N,N,N,N-hexamethylphosphoric triamide at 35 - 40℃; for 2h; Product distribution; Irradiation; presence of (t-Bu)2NO free radical trap; in DMSO;	58%

: 67-56-1
methanol

: 1665-87-8
2,4,6-tri-t-butyl-4-nitrocyclohexa-2,5-dien-1-one

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 3383-21-9
3,5-di-tert-butyl-o-benzoquinone

C: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

D: 100699-37-4
2,4-di-t-butyl-4,6-dimethoxycyclohexa-2,5-dienone

Conditions

Conditions	Yield
at 30℃; for 70h; Further byproducts given;	A 13% B 18% C 56% D 6%

...Expand

: 128-39-2
2,6-di-tert-butylphenol

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 2455-14-3
3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

C: 14328-91-7
3,3’,5,5’-tetra-tert-butyl-[1,1‘-biphenyl]-2,4’-diol

D: 128-38-1
4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl

Conditions

Conditions	Yield
With trifluoroacetic acid In benzene Product distribution; varying time-interval before addition of reag.;	A 56% B 17% C 56% D 24%
With trifluoroacetic acid In benzene at 6 - 8℃; for 0.25h;	A 56% B 17% C 56% D 24%

...Expand

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

: 93716-69-9
2-(4-nitrophenyl)-1,4-phthalazinediones

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 140902-44-9
2,3-Dihydro-2-(4-nitrophenyl)-3-(1,3,5-tri-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl)phthalazin-1,4-dion

Conditions

Conditions	Yield
With magnesium sulfate; potassium carbonate In chlorobenzene Yields of byproduct given;	A n/a B 55%

...Expand

: 75-65-0
tert-butyl alcohol

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 88-18-6
2-tert-Butylphenol

C: 96-76-4
2,4-di-tert-Butylphenol

D: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With carbon tetrabromide at 175℃; for 6h; Sealed tube;	A 39% B 2% C 55% D 5%
With carbon tetrabromide at 175℃; for 6h; Reagent/catalyst; Temperature; Sealed tube;	A 39% B 4% C 52% D 5%
With carbon tetrabromide at 175℃; for 6h; Concentration; Time; Sealed tube;	A 41% B 8% C 44% D 2%

...Expand

: 961-38-6
2,4,6-Tri-tert-butylaniline

: 732-26-3
2,4,6-tri-tert-butylphenoxol

Conditions

Conditions	Yield
With uranyl nitrate hydrate; water; trifluoroacetic acid In nitromethane for 60h; Irradiation;	55%

: 92-69-3
4-Phenylphenol

: 5457-60-3
4-chloro-2,4,6-tri-tert-butylcyclohexa-2,5-dienone

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 2-(Biphenyl-4-yloxy)-4,6-di-tert-butyl-phenol

Conditions

Conditions	Yield
With α-picoline at 110℃; for 2h; 1b : 5i : α-picoline = 1 : 2 : 2; Further byproducts given;	A 52% B 7%

...Expand

: 371-41-5
4-Fluorophenol

: 5457-60-3
4-chloro-2,4,6-tri-tert-butylcyclohexa-2,5-dienone

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

C: 2,4-Di-tert-butyl-6-(4-fluoro-phenoxy)-phenol

Conditions

Conditions	Yield
With α-picoline at 110℃; for 2h; 1b : 5e : α-picoline = 1 : 2 : 2; Further byproducts given;	A 18% B 3% C 51%

...Expand

: 106-41-2
4-bromo-phenol

: 5457-60-3
4-chloro-2,4,6-tri-tert-butylcyclohexa-2,5-dienone

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

C: 4166-86-3
2,4-di-tert-butyl-6-chlorophenol

D: 91378-14-2
2-(4-Bromo-phenoxy)-4,6-di-tert-butyl-phenol

Conditions

Conditions	Yield
With α-picoline at 110℃; for 2h; 1b : 5h : α-picoline : 1 : 2 : 2;	A 29% B 8% C 13% D 51%

...Expand

: 513-35-9
2-methyl-but-2-ene

: 115-11-7
isobutene

: 108-95-2
phenol

A: 98-54-4
para-tert-butylphenol

B: 88-18-6
2-tert-Butylphenol

C: 80-46-6
4-t-amylphenol

D: 96-76-4
2,4-di-tert-Butylphenol

E: 732-26-3
2,4,6-tri-tert-butylphenoxol

F: 120-95-6
2,4-di-tert-amylphenol

G: 122269-03-8
2-t-butyl-4-(1,1-dimethylpropyl)-phenol

H: 122269-05-0
4-tert-butyl-2-(1,1-dimethyl-propyl)-phenol

Conditions

Conditions	Yield
Stage #1: isobutene; phenol; Fulcat 22B catalyst at 130 - 140℃; for 1.5h; Inert atmosphere; Stage #2: 2-methyl-but-2-ene at 130℃; for 3.25h;	A 50.8% B 1.4% C 15.3% D 17.6% E 0.3% F 1.3% G 10.7% H 10.7%

...Expand

: 5457-60-3
4-chloro-2,4,6-tri-tert-butylcyclohexa-2,5-dienone

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

C: 4166-86-3
2,4-di-tert-butyl-6-chlorophenol

D: 2,4-Di-tert-butyl-6-o-tolyloxy-phenol

Conditions

Conditions	Yield
With α-picoline; ortho-cresol at 110℃; for 2h;	A 50% B 1% C 7% D 6%

...Expand

: 5457-60-3
4-chloro-2,4,6-tri-tert-butylcyclohexa-2,5-dienone

: 95-48-7
ortho-cresol

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

C: 4166-86-3
2,4-di-tert-butyl-6-chlorophenol

D: 2,4-Di-tert-butyl-6-o-tolyloxy-phenol

Conditions

Conditions	Yield
With α-picoline at 110℃; for 2h; 1b : 5b : α-picoline = 1 : 2 : 2;	A 50% B 1% C 7% D 6%

...Expand

: 288-13-1
NH-pyrazole

: 1988-75-6
4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one

A: 732-26-3
2,4,6-tri-tert-butylphenoxol

B: 83430-90-4
2,6-Di-tert-butyl-4-pyrazol-1-yl-phenol

C: 83430-92-6
2,4-Di-tert-butyl-6-pyrazol-1-yl-phenol

D: 83430-87-9
2,4,6-Tri-tert-butyl-4-pyrazol-1-yl-cyclohexa-2,5-dienone

Conditions

Conditions	Yield
at 110℃; for 24h; Further byproducts given;	A 49% B 21% C 21% D 2%

...Expand

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butylphenoxyl

Conditions

Conditions	Yield
With iodine; ethylenediamine; potassium iodide In methanol other base;	100%
With iodine; ethylenediamine; potassium iodide In methanol	100%
With 5,10,15-tris(pentafluorophenyl)corrole iron(IV) chloride; 3-chloro-benzenecarboperoxoic acid In acetonitrile at 25℃; Kinetics; Concentration;	99.92%

: 75-44-5
phosgene

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 4511-21-1
2,4,6-tri(tert-butyl)phenyl carbonochloridate

Conditions

Conditions	Yield
With n-butyllithium at 0℃;	100%
With n-butyllithium In 1,2-dimethoxyethane at 0℃;	98%
Stage #1: 2,4,6-tri-tert-butylphenoxol With sodium hydride In tetrahydrofuran Metallation; Stage #2: phosgene With N,N-dimethyl-aniline In toluene at 0 - 20℃; for 2.5h; Acylation;	75%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 2,4,6-tri-tert-butylphenyl nitrite

Conditions

Conditions	Yield
With tert.-butylnitrite at 20℃; for 0.166667h;	100%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 3315-32-0, 2525-39-5
2,4,6-tri-tert-butyl phenoxyl radical

Conditions

Conditions	Yield
With [Ru(III)(dmp-)(TPA)](2+) In acetonitrile at 19.84℃; Kinetics; Concentration; Reagent/catalyst; Time;	100%
With [MnII(2-[bis(pyridin-2-ylmethyl)]amino-N-quinolin-8-yl-acetamidate)(OMe)](1+) In acetonitrile at 50℃; Mechanism; Activation energy; Solvent; Inert atmosphere;	75%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 5751-91-7
2,4,6-tri-tert-butylphenol-O-d

Conditions

Conditions	Yield
With sodium hydride In dimethylsulfoxide-d6 at 20℃; for 1h;	99%
Stage #1: 2,4,6-tri-tert-butylphenoxol With ethyl [2]alcohol; sodium for 10h; Stage #2: With water-d2 Further stages.;	97%
Stage #1: 2,4,6-tri-tert-butylphenoxol With sodium hydride In dimethylsulfoxide-d6 Stage #2: With water-d2 In dimethylsulfoxide-d6 Further stages.;	90%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: C40H99N13P4

: C18H30O*C40H99N13P4

Conditions

Conditions	Yield
In diethyl ether at 20℃;	99%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 75-24-1
trimethylaluminum

: 65260-46-0
methylaluminum bis(2,4,6-tri-tert-butylphenoxide)

Conditions

Conditions	Yield
In hexane (Ar); std. Schlenk technique; soln. of Me3Al in hexane was slowly added over 5 min to stirred soln. of phenol in hexane; soln. was stirred at 25°C for 1 h; evapd. in vac. overnight;	98%
In hexane; dichloromethane hexane soln. of AlMe3 added to CH2Cl2 soln. of organic compound at room temp.; stirred for 1 h at room temp.;; no further purifn.; used as CH2Cl2 soln.;;

: 151206-93-8
[(2,4,6-tri-tert-butylphenyl)NP][GaCl4]

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: P(NHC6H2(C(CH3)3)3)(OC6H2(C(CH3)3)3)(1+)*GaCl4(1-)=[P(NHC6H2(C(CH3)3)3)(OC6H2(C(CH3)3)3)][GaCl4]

Conditions

Conditions	Yield
In dichloromethane absence of moisture; pptn. on slow addn. of 1 equiv. substituted phenol to Ga-complex (over 10 min); elem. anal.;	98%

: 600-00-0
ethyl 2-bromoisobutyrate

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: ethyl 2-methyl-2-(1,3,5-tri-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl)propanoate

Conditions

Conditions	Yield
With copper(l) iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; 4,4'-di-tert-butyl-2,2'-bipyridine In toluene at 20℃; for 20h; Inert atmosphere;	98%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 719-22-2
2,6-Di-tert-butyl-1,4-benzoquinone

Conditions

Conditions	Yield
With perchloric acid; lead dioxide In water; acetone at 25℃;	97%
With (2,9-dimethyl-1,10-phenanthroline)Fe(II)(benzoylformate)2; oxygen In acetonitrile at 20℃; for 20h; Reagent/catalyst;	90%
With 1-chloro-2,2,6,6-tetramethylpiperidine In benzene for 20h; Heating;	55%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 33919-05-0
2,4,6-tri-tert-butyl-4-hydroperoxycyclohexa-2,5-dienone

Conditions

Conditions	Yield
With oxygen; thiamine diphosphate In tetrachloromethane Irradiation;	97%
With 2,8-dibromo-5,5-difluoro-1,3,7,9-tetramethyl-10-phenyl-5H-dipyrrolo[1,2-c:2′,1′-f ][1,3,2]diazaborinin-4-ium-5-uide; oxygen In 1,4-dioxane for 6h; Irradiation;	92%
With oxygen In toluene Mechanism; Thermodynamic data; further solvents; ΔH(activ.), ΔS(activ.);
With potassium hydroxide; oxygen In ethanol

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 4755-77-5
Ethyl oxalyl chloride

: 2,4,6-tri-tert-butylphenyl ethyl oxalate

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 2.5h;	96%

: 79372-14-8
decamethylsamarocene(II) bis(tetrahydrofurane)

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: [(C5Me5)Sm(μ-OC6H2tBu3-2,4,6)]2

Conditions

Conditions	Yield
In toluene Ar-atmosphere; stirring (room temp., 3 h); evapn., washing (toluene); elem. anal.;	96%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 83357-65-7
2,4,6-Tri-tert-butylcyclohexanon

Conditions

Conditions	Yield
With hydrogen; nickel	95%
With nickel at 195 - 235℃; under 110326 Torr; Hydrogenation;

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 108-24-7
acetic anhydride

: 5180-48-3
2,4,6-tri-tert-butylphenyl acetate

Conditions

Conditions	Yield
With silica gel-supported phosphotungstic acid In chloroform at 62℃; for 1h;	95%
With sulfuric acid at 35 - 40℃;	36%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 64-19-7
acetic acid

: 20778-61-4
4-Acetoxy-2,4,6-tri-tert-butylcyclohexa-2,5-dien-1-one

Conditions

Conditions	Yield
With 3-(morpholin-4-yl)propyl modified polystyrene In acetonitrile Electrochemical reaction;	95%
With lead(IV) acetate

: [Mn(tris[(N'-tert-butylureaylato)-N-ethyl]aminato)(O)](2-)

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 627080-47-1
[Mn(tris[(N'-tert-butylureaylato)-N-ethyl]aminato)(OH)](1-)

Conditions

Conditions	Yield
In not given Mn-complex was reacted with ligand;	95%

: 67-56-1
methanol

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 15910-49-3
2,4,6-tri-tert-butyl-4-methoxy-2,5-cyclohexadienone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene In methanol at 20℃; for 0.666667h;	94%
With piperidine; silica gel Electrochemical reaction;	91%
With perchloric acid; lead dioxide for 0.133333h;	90%

: 79-37-8
oxalyl dichloride

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 125189-16-4
(2,4,6-tri-tert-butylphenoxy)oxalyl chloride

Conditions

Conditions	Yield
With n-butyllithium In diethyl ether; hexane at 0℃; for 0.5h;	94%
With n-butyllithium In hexane

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 15910-49-3
2,4,6-tri-tert-butyl-4-methoxy-2,5-cyclohexadienone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene In methanol Ambient temperature;	94%
Multi-step reaction with 2 steps 1: 52 percent / Br2; KBr; pyridine / diethyl ether; H2O / 0.17 h / -20 °C 2: 94 percent / 25 °C View Scheme

: 24424-99-5
di-tert-butyl dicarbonate

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 1-tert-butoxycarbonyloxy-2,4,6-tri-tert-butylbenzene

Conditions

Conditions	Yield
With dmap In dichloromethane at 20℃;	94%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 4971-61-3
2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone

Conditions

Conditions	Yield
With cesium hydroxide; oxygen; triethyl phosphite In dimethyl sulfoxide at 25℃; under 760.051 Torr; for 12h;	93%
With C5CoN5O2(3-)*3C36H30NP2(1+); oxygen In N,N-dimethyl-formamide at 25℃; for 5h;	90%
With bis-[(trifluoroacetoxy)iodo]benzene In water; acetonitrile at 0℃;	76%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 75-78-5
dimethylsilicon dichloride

: 79746-31-9
(2,4,6-tri-tert-butylphenoxy)dimethylsilyl chloride

Conditions

Conditions	Yield
With triethylamine In acetonitrile Heating;	93%
With triethylamine In acetonitrile Yield given;

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 88-06-2
2,4,6-Trichlorophenol

: 2946-84-1
4-(2',4',6'-trichlorophenoxy)2,4,6-tri-t-butyl-2,5-cyclohexadien-1-one

Conditions

Conditions	Yield
With barium manganate In benzene for 1h;	92%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 1988-75-6
4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one

Conditions

Conditions	Yield
With N-Bromosuccinimide for 0.166667h;	91%
With [bis(acetoxy)iodo]benzene; lithium bromide In tetrahydrofuran at 20℃; for 0.5h;	87%
With pyridine; bromine; potassium bromide In diethyl ether; water at -20℃; for 0.166667h;	52%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: C9H5IO2*0.33C2H3N

: C27H35IO3

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 25℃; for 1h; Inert atmosphere; Darkness; stereoselective reaction;	91%

: 1189-71-5
isocyanate de chlorosulfonyle

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 92049-92-8
N-chlorosulfonylcarbamate de 2,4,6-tritertiobutylphenyle

Conditions

Conditions	Yield
In diethyl ether -10 deg C then room temp., 30 min;	90%

: 732-26-3
2,4,6-tri-tert-butylphenoxol

: 59919-22-1
4,6-di-tert-butyl-2-nitrosophenol

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite at -10 - -5℃; for 0.25h;	90%

2,4,6-Tri-tert-butylphenol Consensus Reports

Reported in EPA TSCA Inventory.

2,4,6-Tri-tert-butylphenol Specification

The 2,4,6-Tri-tert-butylphenol, with the cas registry number 732-26-3, has the IUPAC name of 2,4,6-tritert-butylphenol. This is a kind of yellow crystalline powder and is in soluble in water. Its product categories are various, including industrial/fine chemicals; organics; organic building blocks; oxygen compounds; phenols. Besides, it is used as an antiager for natural rubber, and an inefficient stabilizer for synthetic rubber.

The characteristics of this chemical are as below: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.55; (4)ACD/LogD (pH 7.4): 6.55; (5)ACD/BCF (pH 5.5): 55676.36; (6)ACD/BCF (pH 7.4): 55675.99; (7)ACD/KOC (pH 5.5): 86802.62; (8)ACD/KOC (pH 7.4): 86802.05; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 83.29 cm³; (15)Molar Volume: 287.9 cm³; (16)Polarizability: 33.02 ×10^-24 cm³; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 129.3 °C; (20)Enthalpy of Vaporization: 53.74 kJ/mol; (21)Boiling Point: 278 °C at 760 mmHg; (22)Vapour Pressure: 0.00259 mmHg at 25°C; (23)Exact Mass: 262.229666; (24)MonoIsotopic Mass: 262.229666; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 19; (27)Formal Charge: 0; (28)Complexity: 273.

Production method of this chemical is as below: 4-bromo-2,4,6-tri-tert-butyl-cyclohexa-2,5-dienone could react to produce 2,4,6-tri-tert-butyl-phenol, with the following condition: solvent: propan-2-ol; reaction time: 1 hour; yield: 80%; other condition: heating.

Use of 2,4,6-Tri-tert-butylphenol: 2,4,6-Tri-tert-butylphenol could react with tert-butyl hydroperoxide to produce 2,4,6-tri-tert-butyl-4-tert-butylperoxy-cyclohexa-2,5-dienone, with the following condition: reagent: cobalt naphthenate and benzene.

When you are using this chemical, please be very cautious. For one thing, this is harmful to our health. It is irritating to eyes, respiratory system and skin, and if swallowed, it will bring damage to our health. Therefore, you should take the following instruction to protect yourself. Wear suitable protective clothing, gloves and eye/face protection, and then avoid contacting with skin and eyes. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). For another thing, it is very Toxic to the environment. Being toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment, and it may cause long-term adverse effects in the aquatic environment. Lastly, this is highly flammable. It could cause burns. Therefor, while keeping, this material and/or its container must be disposed of as hazardous waste. And then avoid releasing to the environment, with refering to special instructions safety data sheet.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
(2)InChI:InChI=1/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	1670mg/kg (1670mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LIVER: OTHER CHANGES	Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.

Product Name

2,4,6-Tri-tert-butylphenol

Synthetic route

2,4,6-Tri-tert-butylphenol Consensus Reports

2,4,6-Tri-tert-butylphenol Specification

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