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Cas Database |
| Name |
4-Phenoxy-2,6-diisopropylaniline |
EINECS | N/A |
| CAS No. | 80058-85-1 | Density | 1.026 g/cm3 |
| PSA | 35.25000 | LogP | 5.88910 |
| Solubility | soluble in toluene and xylene, but insoluble in water | Melting Point |
N/A |
| Formula | C18H23NO | Boiling Point | 371 °C at 760 mmHg |
| Molecular Weight | 269.387 | Flash Point | 164.5 °C |
| Transport Information | N/A | Appearance | dark red solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,6-diisopropyl-4-phenoxyaniline;4-PHENOXY-2,6-DIISOPROPYL ANILINE; |
Article Data | 7 |
4-Phenoxy-2,6-diisopropylaniline Synthetic route
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole; potassium carbonate; copper(l) chloride In o-xylene at 140℃; for 30h; Inert atmosphere; Schlenk technique; | 99% |
| With potassium carbonate; 1-methyl-1H-imidazole; copper(l) chloride In o-xylene at 120 - 140℃; for 30h; Product distribution / selectivity; Heating / reflux; | 94% |
| With 1-methyl-1H-imidazole; potassium carbonate; copper(l) chloride In toluene for 12h; Reflux; | 72% |
| Conditions | Yield |
|---|---|
| With potassium phosphate; copper(l) iodide; N1-benzyl-N2-(5-methyl-[1,1'-biphenyl]-2-yl)oxalamide In dimethyl sulfoxide at 120℃; for 24h; Inert atmosphere; | 85% |
- 24544-04-5
2,6-diisopropylbenzenamine
- 80058-85-1
2,6-diisopropyl-4-phenoxyaniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: N-Bromosuccinimide / N,N-dimethyl-formamide / 0.5 h / 0 - 5 °C 2: potassium carbonate; 1-methyl-1H-imidazole; copper(l) chloride / toluene / 12 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: N-Bromosuccinimide / N,N-dimethyl-formamide / 0.5 h / 0 - 5 °C 2: potassium carbonate; copper(l) chloride; 1-methyl-1H-imidazole / Reflux View Scheme |
- 80058-85-1
2,6-diisopropyl-4-phenoxyaniline
- 159999-05-0
N-(2,6-diisopropyl-4-phenoxyphenyl)isocyanate
| Conditions | Yield |
|---|---|
| With chlorine | 97.8% |
- 80058-85-1
2,6-diisopropyl-4-phenoxyaniline
- 32315-10-9
bis(trichloromethyl) carbonate
- 159999-05-0
N-(2,6-diisopropyl-4-phenoxyphenyl)isocyanate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃; for 0.166667h; | 85% |
| With calcium carbonate In chloroform; water at 0℃; for 2h; Reflux; |
- 80058-85-1
2,6-diisopropyl-4-phenoxyaniline
- 67-66-3
chloroform
- 75-64-9
tert-butylamine
- 80060-09-9
diafenthiuron
| Conditions | Yield |
|---|---|
| Stage #1: 2,6-diisopropyl-4-phenoxyaniline; chloroform With potassium tert-butylate In 1,4-dioxane; tert-butyl alcohol at 55℃; for 4h; Stage #2: tert-butylamine With sulfur; potassium tert-butylate In 1,4-dioxane; tert-butyl alcohol at 55℃; for 12h; | 52% |
| Conditions | Yield |
|---|---|
| With triethylamine In water for 26h; Heating; | 30% |
- 80058-85-1
2,6-diisopropyl-4-phenoxyaniline
- 463-71-8
thiophosgene
- 80058-93-1
2,6-diisopropyl-4-phenoxy-1-isothiocyanobenzene
| Conditions | Yield |
|---|---|
| With calcium carbonate In dichloromethane; water |
- 80058-85-1
2,6-diisopropyl-4-phenoxyaniline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: calcium carbonate / chloroform; water / 2 h / 0 °C / Reflux 2: toluene / 12 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.17 h / 0 °C 2: tetrahydrofuran / 1 h / 0 °C View Scheme |
- 80058-85-1
2,6-diisopropyl-4-phenoxyaniline
- 80060-09-9
diafenthiuron
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: calcium carbonate / chloroform; water / 2 h / 0 °C / Reflux 2: toluene / 12 h / 20 °C 3: tetraphosphorus decasulfide; potassium carbonate / toluene / 0.33 h / Reflux View Scheme |
4-Phenoxy-2,6-diisopropylaniline Specification
This chemical is called 4-Phenoxy-2,6-diisopropylaniline, and its systematic name is 2,6-bis(1-methylethyl)-4-phenoxyaniline. With the molecular formula of C18H23NO, its molecular weight is 269.38. The CAS registry number of this chemical is 80058-85-1, and its product categories are Pesticide Intermediates; Acaricide Intermediates. In addition, this chemical is dark red solid.
Other characteristics of the 4-Phenoxy-2,6-diisopropylaniline can be summarised as followings: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5.04; (5)ACD/BCF (pH 5.5): 3675.98; (6)ACD/BCF (pH 7.4): 3964.35; (7)ACD/KOC (pH 5.5): 12140.66; (8)ACD/KOC (pH 7.4): 13093.06; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 85.3 cm3; (15)Molar Volume: 262.4 cm3; (16)Polarizability: 33.81×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.026 g/cm3; (19)Flash Point: 164.5 °C; (20)Enthalpy of Vaporization: 61.8 kJ/mol; (21)Boiling Point: 371 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)c2cc(Oc1ccccc1)cc(c2N)C(C)C
2.InChI: InChI=1/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3
3.InChIKey: WRBGLNGTYOVAJO-UHFFFAOYAU
4.Std. InChI: InChI=1S/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3
5.Std. InChIKey: WRBGLNGTYOVAJO-UHFFFAOYSA-N
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