4-Fluoro-N-isopropylaniline supplier

Name
4-FLUORO-N-ISOPROPYLANILINE
EINECS
CAS No. 70441-63-3
Article Data15
CAS DataBase
Density 1.045g/cm³
Solubility
Melting Point
Formula C₉H₁₂FN
Boiling Point 213.9 °C at 760mmHg
Molecular Weight 153.199
Flash Point 83.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro-N-(1-methylethyl)benzenamine;4-fluoro-N-propan-2-yl-aniline;
PSA 12.03000
LogP 2.71900

Synthetic route

: 350-46-9
4-Fluoronitrobenzene

: 67-64-1
acetone

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With chloroplatinic acid; sodium tetrahydroborate; hydrogen; titanium(IV) oxide In water at 70℃; Temperature; Large scale;	99.2%
With hydrogen at 60℃; under 5250.53 Torr; Autoclave;	93%

: 350-46-9
4-Fluoronitrobenzene

: 77-76-9
2,2-dimethoxy-propane

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With 3 % platinum on carbon; hydrogen; toluene-4-sulfonic acid In toluene at 70 - 80℃; under 3750.38 - 15001.5 Torr; for 4h; Reagent/catalyst; Temperature; Pressure; Solvent; Autoclave; Large scale;	98%

: 350-46-9
4-Fluoronitrobenzene

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
Pt on charcoal In water; acetone; toluene	97%
platinum In acetone

: 108-18-9
diisopropylamine

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium) In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Inert atmosphere;	95%

: 67-64-1
acetone

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With iridium bromide; formic acid; zinc In water at 30℃; for 20h;	80%
With sodium tetrahydroborate
With sodium tetrahydroborate In neat (no solvent) at 20℃; for 0.5h; Catalytic behavior;	78 %Chromat.

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With sodium hydroxide; sodium borohydrid In acetic acid; acetone	71%

: 26245-56-7
N-chloroisopropylamine

: 181705-93-1
4-fluorophenylzinc bromide

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With triethylamine In toluene at 0 - 20℃; for 2h; Reagent/catalyst; Inert atmosphere;	58%

: 1493-23-8
(4-fluorophenyl)lithium

: 219943-31-4
N-isopropyl-O-(trimethylsilyl)hydroxylamine

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With CuCN In tetrahydrofuran at -50 - 20℃; for 2h; Arylation;	45%

: 75-26-3
isopropyl bromide

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 5h; Reflux;	43%

: 460-00-4
1-Bromo-4-fluorobenzene

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: cobalt(II) bromide; trifluoroacetic acid; 3-chloroprop-1-ene / acetonitrile / 0.05 h / 20 °C 1.2: 20 °C 2.1: triethylamine / toluene / 2 h / 0 - 20 °C / Inert atmosphere View Scheme

: 1310991-25-3
C12H16FNO2

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With potassium hydroxide at 130℃; for 2h;	127 mg

: 79-04-9
chloroacetyl chloride

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 66602-64-0
2-chloro-N-(4-fluorophenyl)-N-(1-methylethyl)acetamide

Conditions

Conditions	Yield
With triethylamine In toluene at 20℃; for 5.5h; Solvent; Temperature;	98%
With pyridine In toluene	97%
With sodium hydroxide	94%
In toluene at 20 - 90℃; for 2h;	93%

: 1221257-85-7
tert-butyl-5-((4'-formylbiphenyl-4-yl)ethynyl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 1221257-86-8
(E)-tert-butyl 4-(4'-(((4-fluorophenyl)(isopropyl)amino)-methyl)biphenyl-4-yl)-1-hydroxy-2-(hydroxymethyl)but-3-en-2-ylcarbamate

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid; N-ethyl-N,N-diisopropylamine In 1,2-dichloro-ethane at 20℃;	94%

: 96-32-2
bromoacetic acid methyl ester

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 2-[N-(4-fluorophenyl)-N-isopropylamino]acetate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In acetonitrile for 24h; Inert atmosphere; Reflux;	86%

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 176232-40-9
4-chloro-1-(2,5-difluoro-phenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid

: N-(4-fluorophenyl)-N-isopropyl-4-chloro-1-(2,5-difluorophenyl)-5-phenylpyrazole-3-carboxamide

Conditions

Conditions	Yield
With 2-chloro-1-methyl-pyridinium iodide; triethylamine In dichloromethane for 3h;	84.2%

: (2R,3R)-3-bromo-1,2-epoxy-hexane

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 4-fluoro-N-isopropyl-N-(((2R,3S)-3-propyloxirane-2-yl)methyl)aniline

Conditions

Conditions	Yield
Stage #1: 4-fluoro-N-isopropyl-aniline With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: (2R,3R)-3-bromo-1,2-epoxy-hexane In tetrahydrofuran; hexane at -78 - 20℃; for 16h;	31%

: 598-21-0
2-Bromoacetyl bromide

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 174180-88-2
2-bromo-N-(4-fluoro-phenyl)-N-isopropyl-acetamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane Ambient temperature;

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 1027241-69-5
4-ethylsulfanyl-5-methyl-3-oxo-3H-isoxazole-2-carbonyl chloride

: 4-ethylsulfanyl-5-methyl-3-oxo-3H-isoxazole-2-carboxylic acid (4-fluoro-phenyl)-isopropyl-amide

Conditions

Conditions	Yield
With triethylamine In toluene at 20℃; for 0.583333h; Acylation;

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 174180-89-3
2-(2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)-N-(4-fluoro-phenyl)-N-isopropyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Et3N / CH2Cl2 / Ambient temperature 2: 1.) NaH / 1.) DMF, RT, 0.5 h, 2.) DMF, RT, 18 h View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: N-(4-Fluoro-phenyl)-2-[3-(1H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: Et3N / CH2Cl2 / Ambient temperature 2: 1.) NaH / 1.) DMF, RT, 0.5 h, 2.) DMF, RT, 18 h 3: 1.) NaH, NaN(TMS)2 / 1.) DMF, THF, 0 deg C, 2.) DMF, THF, RT, 2 h 4: 4N aq. HCl / dioxane / 6 h / Ambient temperature View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 174180-87-1
2-[3-(1-tert-butoxycarbonyl-1H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-(4-fluoro-phenyl)-N-isopropyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / Ambient temperature 2: 1.) NaH / 1.) DMF, RT, 0.5 h, 2.) DMF, RT, 18 h 3: 1.) NaH, NaN(TMS)2 / 1.) DMF, THF, 0 deg C, 2.) DMF, THF, RT, 2 h View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 2-[2,4-Dioxo-5-phenyl-3-(3-phenyl-ureido)-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-(4-fluoro-phenyl)-N-isopropyl-acetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Et3N / CH2Cl2 / Ambient temperature 2: 1.) NaH / 1.) DMF, 30 min, 2.) DMF, RT, 16 h View Scheme

: C13H12O4S2

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 1220972-78-0
4-(5-(((4-fluorophenyl)(isopropyl)amino)methyl)thiophen-2-yl)benzaldehyde

Conditions

Conditions	Yield
In toluene Reflux;

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 471-25-0
Propiolic acid

: C12H12FNO

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃;

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: N-(4-fluorophenyl)-N-isopropyl-3-phenylpropiolamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide / dichloromethane / 0 - 20 °C 2: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 3 h / 80 °C / Inert atmosphere View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: N-(4-fluorophenyl)-N-isopropyl-3-(thiophen-2-yl)propiolamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide / dichloromethane / 0 - 20 °C 2: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 3 h / 80 °C / Inert atmosphere View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 3-iodo-1-isopropyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dicyclohexyl-carbodiimide / dichloromethane / 0 - 20 °C 2: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 3 h / 80 °C / Inert atmosphere 3: bis-[(trifluoroacetoxy)iodo]benzene; boron trifluoride diethyl etherate / chlorobenzene / 5 h / 80 °C View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 3-iodo-1-isopropyl-4-(thiophen-2-yl)-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dicyclohexyl-carbodiimide / dichloromethane / 0 - 20 °C 2: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 3 h / 80 °C / Inert atmosphere 3: bis-[(trifluoroacetoxy)iodo]benzene; boron trifluoride diethyl etherate / chlorobenzene / 6 h / 80 °C View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: 2-acetoxy-N-(4-fluorophenyl)-N-(1-methylethyl)acetamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: toluene / 2 h / 20 - 90 °C 2: toluene / 95 °C View Scheme

: 70441-63-3
4-fluoro-N-isopropyl-aniline

: N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)acetamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: toluene / 2 h / 20 - 90 °C 2: toluene / 95 °C 3: ethanol / 70 °C View Scheme

4-Fluoro-N-isopropylaniline Chemical Properties

Molecule structure of Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS NO.70441-63-3):

IUPAC Name: 4-Fluoro-N-propan-2-ylaniline
Molecular Weight: 153.196683 g/mol
Molecular Formula: C₉H₁₂FN
Density: 1.045 g/cm³
Boiling Point: 213.9 °C at 760 mmHg
Flash Point: 83.1 °C
Index of Refraction: 1.527
Molar Refractivity: 45.08 cm³
Molar Volume: 146.4 cm³
Surface Tension: 32.6 dyne/cm
Enthalpy of Vaporization: 45.02 kJ/mol
Vapour Pressure: 0.161 mmHg at 25 °C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 153.095378
MonoIsotopic Mass: 153.095378
Topological Polar Surface Area: 12
Heavy Atom Count: 11
Canonical SMILES: CC(C)NC1=CC=C(C=C1)F
InChI: InChI=1S/C9H12FN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey of Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS NO.70441-63-3): RMXBOQCXULAXBO-UHFFFAOYSA-N

4-Fluoro-N-isopropylaniline Safety Profile

RIDADR: 2810
HazardClass: 6.1(b)
PackingGroup: III

4-Fluoro-N-isopropylaniline Specification

Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS NO.70441-63-3) is also named as 4-Fluoro-N-(1-methylethyl)benzenamine .

Product Name

4-FLUORO-N-ISOPROPYLANILINE

Synthetic route

4-Fluoro-N-isopropylaniline Chemical Properties

4-Fluoro-N-isopropylaniline Safety Profile

4-Fluoro-N-isopropylaniline Specification

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