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| CAS No.: | 950-58-3 |
|---|---|
| Name: | 4-amino-2,6-di-tert-butylphenol |
| Molecular Structure: | |
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| 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 |
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- 15052-28-5
2,6-di-tert-butyl-1,4-benzoquinone monooxime
- 950-58-3
2,6-di-tert-butyl-4-aminophenol
| 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; |
| 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% |
| 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 | Yield |
|---|---|
| acid hydrolysis; Yield given; |
| 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 | 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 | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 2 h / 180 - 185 °C 2: acid hydrolysis View Scheme |
| 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 |
| 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 | 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%.
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