4-Amino-2,6-ditert-butyl-phenol supplier

Name
4-amino-2,6-di-tert-butylphenol
EINECS
CAS No. 950-58-3
Article Data38
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₃NO
Boiling Point 309.3 °C at 760 mmHg
Molecular Weight 221.343
Flash Point 140.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol, 4-amino-2,6-bis(1,1-dimethylethyl)-;
PSA 46.25000
LogP 4.15060

Synthetic route

: 15052-28-5
2,6-di-tert-butyl-1,4-benzoquinone monooxime

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; under 760.051 Torr;	80%
With hydrogen; platinum In 1,4-dioxane
Multi-step reaction with 2 steps 1: 2 h / 180 - 185 °C 2: acid hydrolysis View Scheme
With palladium 10% on activated carbon; hydrogen; trifluoroacetic acid In methanol under 760.051 Torr; for 2h; Inert atmosphere;

: 728-40-5
4-nitro-2,6-di-tert-butylphenol

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
With hydrogen; palladium on activated carbon In ethanol; dichloromethane at 30℃; under 1034.32 Torr; for 2h;	50%
With hydrogen; palladium 10% on activated carbon In ethanol; dichloromethane at 20℃; under 1034.32 Torr; for 2h;	50%
With hydrogen; palladium 10% on activated carbon In ethanol; dichloromethane at 20℃; under 1034.32 Torr; for 2h;	50%

: 955-03-3
4-nitroso-2,6-di-tert-butylphenol

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
With hydrogen; nickel
With sodium hydroxide; sodium dithionite at 45 - 60℃;
With potassium hydroxide; sodium hydrogensulfide
With sodium dithionite; sodium hydroxide In water at 30 - 65℃; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;

: 69230-90-6
3,5-di-tert-butyl-4-hydroxyformanilide

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
acid hydrolysis; Yield given;

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

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / 2 h / 180 - 185 °C 2: acid hydrolysis View Scheme
Multi-step reaction with 2 steps 1: hydroxylamine 2: 5percent sodium hydroxide, sodium dithionite / 45 - 60 °C View Scheme

: 14329-20-5
2,6-di-tert-butyl-4-(phenylimino)cyclohexa-2,5-dienone

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2 h / 180 - 185 °C 2: acid hydrolysis View Scheme

: 4610-03-1
2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxyphenylimino)-2,5-cyclohexadien-1-one

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2 h / 180 - 185 °C 2: acid hydrolysis View Scheme

: 128-37-0
2,6-di-tert-butyl-4-methyl-phenol

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 16.2 percent / chromic anhydride 2: hydroxylamine 3: 5percent sodium hydroxide, sodium dithionite / 45 - 60 °C View Scheme

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

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: H2 / Raney-Ni View Scheme
Multi-step reaction with 2 steps 1: N2O4 / benzene; petroleum ether 2: Zn, aq. HCl View Scheme
Stage #1: 2,6-di-tert-butylphenol With hydrogenchloride; sodium hydroxide; sodium carbonate; sodium nitrite; 4-aminobenzene sulfonic acid In water at 0℃; for 1h; Stage #2: With sodium dithionite In water at 80℃;

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 100-07-2
4-methoxy-benzoyl chloride

: 178487-48-4
N-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-4-methoxy-benzamide

Conditions

Conditions	Yield
With triethylamine In benzene at 35 - 40℃; for 1h;	96%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 122-04-3
4-nitro-benzoyl chloride

: 178487-45-1
2,6-di-tert-butyl-4-(4-nitrobenzoylamino)phenol

Conditions

Conditions	Yield
With triethylamine In benzene at 35 - 40℃; for 1h;	94%
With triethylamine In diethyl ether

: 50-84-0
2,4 dichlorobenzoic acid

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 2,4-dichloro-N-(3,5-di-tert-butyl-4-hydroxyphenyl)benzamide

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane for 6h;	92%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 874-60-2
4-methyl-benzoyl chloride

: 178487-47-3
N-(3,5-di-tert-butyl-4-hydroxyphenyl)-4-methylbenzamide

Conditions

Conditions	Yield
With triethylamine In benzene at 35 - 40℃; for 1h;	90%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 98-88-4
benzoyl chloride

: 29644-34-6
4-(N-benzoylamino)-2,6-di-t-butylphenol

Conditions

Conditions	Yield
With triethylamine In benzene at 35 - 40℃; for 1h;	87%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 122-01-0
4-chloro-benzoyl chloride

: 178487-46-2
N-(3,5-di-tert-butyl-4-hydroxyphenyl)-4-chlorobenzamide

Conditions

Conditions	Yield
With triethylamine In benzene at 35 - 40℃; for 1h;	86%

: 32315-10-9
bis(trichloromethyl) carbonate

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 636-97-5
N-amino-(4-nitrophenyl)carboxamide

: N-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]-N'-[(4-nitrophenyl)-carbonylamino]-urea

Conditions

Conditions	Yield
With sodium chloride; N-ethyl-N,N-diisopropylamine In n-heptane; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide	86%
Stage #1: bis(trichloromethyl) carbonate; 2,6-di-tert-butyl-4-aminophenol With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.0833333h; Stage #2: N-amino-(4-nitrophenyl)carboxamide With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide) at 20℃; for 4h;	86%

...Expand

: 32315-10-9
bis(trichloromethyl) carbonate

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 636-97-5
N-amino-(4-nitrophenyl)carboxamide

: N-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]-N'-[(4-nitrophenyl)-carbonylamino]-urea

Conditions

Conditions	Yield
Stage #1: bis(trichloromethyl) carbonate; 2,6-di-tert-butyl-4-aminophenol With N-ethyl-N,N-diisopropylamine In dichloromethane Stage #2: N-amino-(4-nitrophenyl)carboxamide With N-ethyl-N,N-diisopropylamine In DMF (N,N-dimethyl-formamide); dichloromethane at 20℃; for 4h;	86%

...Expand

: 1943-83-5
2-chloroethyl isothiocyanate

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: N-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]-N'-(2-chloroethyl)urea

Conditions

Conditions	Yield
In DMF (N,N-dimethyl-formamide) at 23℃; for 2h;	83%

: 1953-99-7
tetrachlorophthalonitrile

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 3,5-di-tert-butyl-4-hydroxy-2',5',6'-trichloro-3',4'-dicyanodiphenylamine

Conditions

Conditions	Yield
With triethylamine In various solvent(s) at 40 - 45℃; for 2h;	81%

: 32315-10-9
bis(trichloromethyl) carbonate

: 24954-67-4
2-(p-nitrophenyl)ethylamine

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: N-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]-N'-[2-(4-nitrophenyl)ethyl]-urea

Conditions

Conditions	Yield
Stage #1: bis(trichloromethyl) carbonate; 2,6-di-tert-butyl-4-aminophenol Stage #2: 2-(p-nitrophenyl)ethylamine	80%
Stage #1: bis(trichloromethyl) carbonate; 2,6-di-tert-butyl-4-aminophenol With N-ethyl-N,N-diisopropylamine Stage #2: 2-(p-nitrophenyl)ethylamine With N-ethyl-N,N-diisopropylamine	80%

...Expand

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 90850-59-2
(4,6-Dichloro-[1,3,5]triazin-2-yl)-(4-dodecyl-phenyl)-amine

: 95335-62-9
C49H74N6O2

Conditions

Conditions	Yield
With sodium hydroxide In acetone for 6h; Heating;	74%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 63289-53-2
4-nitrobenzyl isocyanate

: 214124-65-9
N-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]-N'-[(4-nitrophenyl)methyl]-urea

Conditions

Conditions	Yield
In chloroform at 20℃; for 2h;	72%
In chloroform at 20℃; for 2h;

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 214124-65-9
N-[3,5-bis-(1,1-dimethylethyl)-4-hydroxyphenyl]-N'-[(4-nitrophenyl)methyl]-urea

Conditions

Conditions	Yield
In chloroform	72%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 39605-41-9
6-chloro-N2,N4-diisobutyl-1,3,5-triazine-2,4-diamine

: 95335-63-0
4-(4,6-Bis-isobutylamino-[1,3,5]triazin-2-ylamino)-2,6-di-tert-butyl-phenol

Conditions

Conditions	Yield
With sodium hydroxide In acetone Heating;	67%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 976-09-0
6-(4-hydroxy-3,5-di-tert-butylphenylamino)-2,4-dichloro-1,3,5-triazine

: 51937-53-2
2,4,6-tris-(4-hydroxy-3,5-di-tert-butylanilino)-sym-triazine

Conditions

Conditions	Yield
With sodium hydroxide In acetone for 6h; Heating;	67%

: 485-47-2
indan-1,2,3-trione hydrate

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 2-(3,5-di-tert-butyl-4-oxo-cyclohexa-2,5-dienylideneamino)-indan-1,3-dione

Conditions

Conditions	Yield
Condensation;	67%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 16666-02-7
2,4-di-(N-methyloctadecylamino)-6-chloro-sym-triazine

: 95335-64-1
4-[4,6-Bis-(methyl-octadecyl-amino)-[1,3,5]triazin-2-ylamino]-2,6-di-tert-butyl-phenol

Conditions

Conditions	Yield
With sodium hydroxide In acetone Heating;	66%
With potassium hydroxide 1.) dioxane, reflux, 3 h, 2.) dioxane, reflux, 1 h; Yield given; Multistep reaction;

: 218944-77-5
3-{4-[(1,1-dimethylethoxy)carbonyl]aminophenoxy}azetidine

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 1-{{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]amino}carbonyl}-3-{4-[(1,1-dimethylethoxy)carbonyl]aminophenoxy}azetidine

Conditions

Conditions	Yield
Stage #1: 2,6-di-tert-butyl-4-aminophenol With bis(trichloromethyl) carbonate In dichloromethane at 23℃; for 1.08333h; Stage #2: 3-{4-[(1,1-dimethylethoxy)carbonyl]aminophenoxy}azetidine With N-ethyl-N,N-diisopropylamine In dichloromethane at 23℃; for 2h;	61%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 17669-01-1, 56190-51-3, 15853-98-2
(+)-usnic acid

: (R,E)-6-acetyl-2-(1-((3,5-di-tert-butyl-4-hydroxyphenyl)amino)ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Conditions

Conditions	Yield
In ethanol at 80℃; for 4h; Inert atmosphere;	61%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 32998-19-9
2-(N-methyloctadecylamino)-4,6-dichloro-sym-triazine

: 95335-61-8
C50H84N6O2

Conditions

Conditions	Yield
With sodium hydroxide In acetone for 6h; Heating;	59%
With potassium hydroxide 1.) dioxane, reflux, 3 h, 2.) dioxane, reflux, 1 h; Yield given; Multistep reaction;

: 4972-29-6
benzenesulphinyl chloride

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 1104591-41-4
N-(phenylsulfinyl)-2,6-di-tert-butyl-1,4-benzoquinone imine

Conditions

Conditions	Yield
Stage #1: benzenesulphinyl chloride; 2,6-di-tert-butyl-4-aminophenol With triethylamine In diethyl ether for 0.166667h; Stage #2: With silver(l) oxide In acetone for 0.5h; Further stages.;	58%

: 10439-23-3
4-methylbenzenesulfinyl chloride

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 1104591-39-0
N-[(4-methylphenyl)sulfinyl]-2,6-di-tert-butyl-1,4-benzoquinone imine

Conditions

Conditions	Yield
Stage #1: 4-methylbenzenesulfinyl chloride; 2,6-di-tert-butyl-4-aminophenol With triethylamine In diethyl ether for 0.166667h; Stage #2: With silver(l) oxide In acetone for 0.5h; Further stages.;	58%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: 178487-49-5
N-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3,4,5-trimethoxy-benzamide

Conditions

Conditions	Yield
With triethylamine In benzene at 35 - 40℃; for 1h;	57%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 28123-73-1
5-(4-nitrophenyl)-furan-2-carboxylic acid

: N-(3,5-di-t-butyl-4-hydroxyphenyl)-5-(4-nitrophenyl)-2-furan carboxamide

Conditions

Conditions	Yield
Stage #1: 5-(4-nitrophenyl)-furan-2-carboxylic acid Stage #2: 2,6-di-tert-butyl-4-aminophenol	56%

: 108-77-0
1,3,5-trichloro-2,4,6-triazine

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 976-09-0
6-(4-hydroxy-3,5-di-tert-butylphenylamino)-2,4-dichloro-1,3,5-triazine

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone 1. 0 deg C, 1 h; 2. 20 deg C, 1 h;	54%
With sodium carbonate at 0 - 5℃; for 0.166667h; Inert atmosphere;

: 2901-92-0
p-chlorophenylsulfinyl chloride

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 1104591-43-6
N-[(4-chlorophenyl)sulfinyl]-2,6-di-tert-butyl-1,4-benzoquinone imine

Conditions

Conditions	Yield
Stage #1: p-chlorophenylsulfinyl chloride; 2,6-di-tert-butyl-4-aminophenol With triethylamine In diethyl ether for 0.166667h; Stage #2: With silver(l) oxide In acetone for 0.5h; Further stages.;	54%

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 89642-02-4
2-azido-5-nitrobenzaldehyde

: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-5-nitroindazole

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.333333h; Heating;	53%

: 872-85-5
pyridine-4-carbaldehyde

: 950-58-3
2,6-di-tert-butyl-4-aminophenol

: 2,6-Di-tert-butyl-4-{[1-pyridin-4-yl-meth-(E)-ylidene]-amino}-phenol

Conditions

Conditions	Yield
In ethanol Heating;	52%

4-Amino-2,6-ditert-butyl-phenol Specification

This product is an organic compound with the formula C₁₄H₂₃NO. The systematic name of this chemical is 4-Amino-2,6-ditert-butyl-phenol. It belongs to the product category of Industrial/Fine Chemicals. With the CAS registry number 950-58-3, it is also named as Phenol, 4-amino-2,6-bis(1,1-dimethylethyl)-. In addition, the molecular weight is 221.34.

Physical properties of 4-Amino-2,6-ditert-butyl-phenol are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 69.14 cm³; (9)Molar Volume: 223.5 cm³; (10)Polarizability: 27.41×10^-24cm³; (11)Surface Tension: 35.1 dyne/cm; (12)Density: 0.99 g/cm³; (13)Flash Point: 140.8 °C; (14)Enthalpy of Vaporization: 57.19 kJ/mol; (15)Boiling Point: 309.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000355 mmHg at 25°C.

Uses of 4-Amino-2,6-ditert-butyl-phenol: it can be used to produce 3,5-di-tert-butyl-4-hydroxy-2',5',6'-trichloro-3',4'-dicyanodiphenylamine at the temperature of 40 - 45 °C. It will need reagent Et₃N and various solvent(s) with the reaction time of 2 hours. The yield is about 81%.

4-Amino-2,6-ditert-butyl-phenol can be used to produce 3,5-di-tert-butyl-4-hydroxy-2',5',6'-trichloro-3',4'-dicyanodiphenylamine at the temperature of 40 - 45 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cc(cc1C(C)(C)C)N)C(C)(C)C
(2)Std. InChI: InChI=1S/C14H23NO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,15H2,1-6H3
(3)Std. InChIKey: MNDTVJMRXYKBPV-UHFFFAOYSA-N

Product Name

4-amino-2,6-di-tert-butylphenol

Synthetic route

4-Amino-2,6-ditert-butyl-phenol Specification

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