4-Phenoxy-2,6-diisopropylaniline supplier

Name
4-Phenoxy-2,6-Diisopropyl Aniline
EINECS
CAS No. 80058-85-1
Article Data7
CAS DataBase
Density 1.026 g/cm³
Solubility soluble in toluene and xylene, but insoluble in water
Melting Point
Formula C₁₈H₂₃NO
Boiling Point 371 °C at 760 mmHg
Molecular Weight 269.387
Flash Point 164.5 °C
Transport Information
Appearance dark red solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-diisopropyl-4-phenoxyaniline;4-PHENOXY-2,6-DIISOPROPYL ANILINE;
PSA 35.25000
LogP 5.88910

Synthetic route

: 80058-84-0
4-bromo-2,6-diisopropylaniline

: 108-95-2
phenol

: 80058-85-1
2,6-diisopropyl-4-phenoxyaniline

Conditions

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%

: 4-chloro-2,6-bis(propan-2-yl)aniline

: 108-95-2
phenol

: 80058-85-1
2,6-diisopropyl-4-phenoxyaniline

Conditions

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

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

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

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

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%

...Expand

: 75-15-0
carbon disulfide

: 80058-85-1
2,6-diisopropyl-4-phenoxyaniline

: C37H44N2O2S

Conditions

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

Conditions	Yield
With calcium carbonate In dichloromethane; water

: 80058-85-1
2,6-diisopropyl-4-phenoxyaniline

: 1-tert-butyl-3-(2,6-di-isopropyl-4-phenoxy-phenyl)urea

Conditions

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

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

Product Name

4-Phenoxy-2,6-Diisopropyl Aniline

Synthetic route

4-Phenoxy-2,6-diisopropylaniline Specification

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