CAS No.950-58-3,4-amino-2,6-di-tert-butylphenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	950-58-3
Name:	4-amino-2,6-di-tert-butylphenol
Article Data:	38

Formula:	C₁₄H₂₃NO
Molecular Weight:	221.343
Synonyms:	Phenol, 4-amino-2,6-bis(1,1-dimethylethyl)-;
Density:	0.99 g/cm³
Boiling Point:	309.3 °C at 760 mmHg
Flash Point:	140.8 °C
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%

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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