2-Fluoro-N-methylaniline supplier

Name
2-Fluoro-N-methylaniline
EINECS
CAS No. 1978-38-7
Article Data22
CAS DataBase
Density 1.106 g/cm³
Solubility
Melting Point
Formula C₇H₈FN
Boiling Point 180.323 °C at 760 mmHg
Molecular Weight 125.146
Flash Point 62.857 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols T
Synonyms Aniline,o-fluoro-N-methyl- (6CI,8CI);N-Methyl-o-fluoroaniline;N-Methyl-2-fluoroaniline;N-(2-Fluorophenyl)methylamine;2-Fluoro-N-methylbenzenamine;N-methyl-2-fluoraniline;2-Fluoro-N-methylaniline;
PSA 12.03000
LogP 1.94040

Synthetic route

: 348-54-9
2-Fluoroaniline

: 616-38-6
carbonic acid dimethyl ester

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
under 760.051 Torr; Reagent/catalyst; Molecular sieve; Reflux; Green chemistry;	99.4%

: 1272654-63-3
N-methyl-N-(2-fluorophenyl)formamide

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With sulfuric acid; water at 80℃; for 5h;	98.4%
With C18H37ClMoNO2P2; hydrogen; sodium triethylborohydride In tetrahydrofuran; toluene at 130℃; under 37503.8 Torr; for 24h; Autoclave; Glovebox;	15 %Chromat.

: N-(2-fluorophenyl)methanimine

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With hydrogen at 120℃; under 7500.75 Torr; for 3h; Reagent/catalyst; Temperature; Pressure;	96.6%

: 50-00-0
formaldehyd

: 348-54-9
2-Fluoroaniline

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: formaldehyd; 2-Fluoroaniline With potassium hydroxide In methanol at 85℃; for 2h; Sealed tube; Stage #2: With methanol; sodium tetrahydroborate at 0 - 85℃; for 1h; Reagent/catalyst; Temperature; Sealed tube;	95%
With methanol; sodium tetrahydroborate; sodium at 60℃; for 2h;	65%

: 348-54-9
2-Fluoroaniline

: 74-89-5
methylamine

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: 2-Fluoroaniline With hydrogenchloride In water for 0.5h; Stage #2: With sodium nitrite In water at -10 - 5℃; for 1.5h; Stage #3: methylamine In water at 50℃; for 2.5h; Temperature;	95%

: 900537-29-3
N-methyl-N-nosyl-o-fluoroaniline

: 68-11-1
mercaptoacetic acid

A: 3406-75-5
2-(4-nitrophenylthio)acetic acid

B: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃;	A n/a B 88%

...Expand

: 67-56-1
methanol

: 348-54-9
2-Fluoroaniline

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With [Cp*Ir(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole)Cl][Cl]; caesium carbonate at 120℃; for 12h; Schlenk technique;	87%

: 348-54-9
2-Fluoroaniline

: 74-88-4
methyl iodide

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: 2-Fluoroaniline With n-butyllithium In tetrahydrofuran; hexane at -50 - 20℃; for 1.25h; Stage #2: methyl iodide In tetrahydrofuran; hexane for 5.25h; Further stages.;	80%

: 824-48-6
N-(2-fluorophenyl)formamide

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
In tetrahydrofuran; methanol	59%
Stage #1: N-(2-fluorophenyl)formamide With borane In tetrahydrofuran Heating; Stage #2: With hydrogenchloride In methanol; ethanol Further stages.;
With hydrogenchloride; sodium hydroxide; borane In tetrahydrofuran; 1,4-dioxane at 0 - 60℃; for 4h; Under argon gas;

: 348-54-9
2-Fluoroaniline

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 93 percent / pyridine / CH2Cl2 / 20 °C 2: 100 percent / CH2Cl2 / 0.17 h / 20 °C 3: 88 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: acetic anhydride / 2 h / 50 °C 1.2: 1 h / 20 °C 2.1: borane-THF / tetrahydrofuran / 2 h / 50 °C 2.2: 1 h / 60 °C View Scheme
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 3 h / 0 - 20 °C / Large scale 2: sodium hydride / mineral oil; tetrahydrofuran / 4 h / 0 °C / Large scale 3: ammonium hydroxide / water / 5 h / Reflux; Large scale View Scheme
Multi-step reaction with 3 steps 1: toluene / 6 h / 88 - 110 °C 2: potassium carbonate / 4 h / 130 °C / 3000.3 - 4500.45 Torr / Autoclave 3: sulfuric acid; water / 5 h / 80 °C View Scheme

: 1766-57-0
N-(2-fluorophenyl)-4-nitrobenzenesulfonamide

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent / CH2Cl2 / 0.17 h / 20 °C 2: 88 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 20 °C View Scheme

: 64-18-6
formic acid

: 348-54-9
2-Fluoroaniline

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: formic acid With acetic anhydride at 0 - 50℃; Inert atmosphere; Stage #2: 2-Fluoroaniline In tetrahydrofuran at 20℃; Inert atmosphere; Stage #3: With hydrogenchloride; borane-THF

: C13H13FN2O2S

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With ammonium hydroxide In water for 5h; Reflux; Large scale;	646 g

: 1978-38-7
2-fluoro-N-methylaniline

: (R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoyl chloride

: C23H18F2N2O3

Conditions

Conditions	Yield
With sodium hydroxide In toluene at 20 - 25℃; for 3h; Reagent/catalyst;	96.47%

: 101053-90-1
(R)-(+)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propanoyl chloride

: 1978-38-7
2-fluoro-N-methylaniline

: (R)-2-(4-((5-chloro-3-fluoropyridin-2-yl)oxy)phenoxy)-N-(2-fluorophenyl)-N-methylpropionamide

Conditions

Conditions	Yield
With sodium hydroxide In toluene at 20 - 25℃; for 3.5h;	96.46%

: (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid

: 1978-38-7
2-fluoro-N-methylaniline

: metamifop

Conditions

Conditions	Yield
Stage #1: (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid With trifluorormethanesulfonic acid; 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 1.5h; Stage #2: 2-fluoro-N-methylaniline In dichloromethane at 20℃; for 3h; Solvent;	95.8%

: 1978-38-7
2-fluoro-N-methylaniline

: 66441-23-4, 71283-80-2
fenoxaprop-p-ethyl

: 256412-89-2
(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

Conditions

Conditions	Yield
With triethylamine In ethanol at 80℃; Solvent; Temperature; Reagent/catalyst;	95%

: 1978-38-7
2-fluoro-N-methylaniline

: 3-methyl-5H-1,4,2-dioxazol-5-one

: 1604806-78-1
N'-(2-fluorophenyl)-N'-methylacetohydrazide

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In chloroform at 25℃; for 12h; Inert atmosphere; Sealed tube;	95%

: 865352-01-8
2-(2',2'-difluoroethoxy)-6-trifluoromethylbenzene-1-sulfonyl chloride

: 1978-38-7
2-fluoro-N-methylaniline

: 2-(2,2-difluoroethoxy)-N-(2-fluorophenyl)-N-methyl-6-(trifluoromethyl)benzenesulfonamide

Conditions

Conditions	Yield
With 3,5-Lutidine In dimethyl sulfoxide; toluene at 60 - 65℃; for 4.5h;	94.36%

: 31555-60-9
5-bromothiophene-2-carbonyl chloride

: 1978-38-7
2-fluoro-N-methylaniline

: 1396244-28-2
5-bromo-N-(2-fluorophenyl)-N-methylthiophene-2-carboxamide

Conditions

Conditions	Yield
With triethylamine at 0℃; for 3h;	94%

: 1978-38-7
2-fluoro-N-methylaniline

: phenazine-1-carboxylic acid chloride

: N-(2-fluorophenyl)-N-methylphenazine-1-carboxamide

Conditions

Conditions	Yield
In dichloromethane at 0 - 5℃; for 1h;	93%
With triethylamine In dichloromethane for 2h; Reflux;	93%

: 1978-38-7
2-fluoro-N-methylaniline

: 75-36-5
acetyl chloride

: 120371-27-9
N-(2-fluorophenyl)-N-methylacetamide

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 17h; Inert atmosphere;	91%

: 867327-09-1
2-Bromo-6-[(S)-1-((R)-1-phenyl-ethyl)-pyrrolidin-2-yl]-pyridine

: 1978-38-7
2-fluoro-N-methylaniline

: C24H26FN3

Conditions

Conditions	Yield
tris-(dibenzylideneacetone)dipalladium(0); CyJohnPhos In toluene at 20 - 80℃; for 2h;	90.3%

: (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoic acid

: 1978-38-7
2-fluoro-N-methylaniline

: 256412-89-2
(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

Conditions

Conditions	Yield
With oxalyl dichloride; triethylamine at 10 - 40℃; for 10h;	90%

: 1978-38-7
2-fluoro-N-methylaniline

: 100-61-8
N-methylaniline

Conditions

Conditions	Yield
With sodium tetrafluoroborate; tetrabutylammonium tetrafluoroborate In 1-methyl-pyrrolidin-2-one at 60℃; for 3h; Electrochemical reaction; Green chemistry;	87%

: 1978-38-7
2-fluoro-N-methylaniline

: 598-72-1
2-Bromopropionic acid

: 256412-87-0
N-(2-Fluorophenyl)-N-methyl-2-bromo-propionamide

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In chloroform at 20℃; for 1h;	87%

: 1978-38-7
2-fluoro-N-methylaniline

: 598-21-0
2-Bromoacetyl bromide

: 1339800-80-4
2-bromo-N-(2-fluorophenyl)-N-methylacetamide

Conditions

Conditions	Yield
In dichloromethane at -10 - 20℃; for 17h; Inert atmosphere;	86%

: 1978-38-7
2-fluoro-N-methylaniline

: 920-46-7
Methacryloyl chloride

: 1449116-83-9
N-(2-fluorophenyl)-N-methylmethacrylamide

Conditions

Conditions	Yield
With potassium carbonate In water; acetone at 0℃; Inert atmosphere; Sealed tube; Schlenk technique;	85%
With triethylamine In dichloromethane at 0 - 20℃; for 6h; Inert atmosphere;	73%
With triethylamine In dichloromethane at 0 - 20℃; for 1h;
With triethylamine In dichloromethane at 0 - 20℃; for 1h;

: 1978-38-7
2-fluoro-N-methylaniline

: C21H20ClNO6

: 256412-89-2
(2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide

Conditions

Conditions	Yield
at 5 - 25℃; for 13h; Large scale;	85%

: 1978-38-7
2-fluoro-N-methylaniline

: 4105-21-9
2-phenylimidazo[1,2-a]pyridine

: 2-fluoro-N-methyl-4-((2-phenylimidazo[1,2-a]pyridin-3-yl)thio)aniline

Conditions

Conditions	Yield
With sulfur; dimethyl sulfoxide at 110℃; for 12h; Sealed tube;	83%

: 1978-38-7
2-fluoro-N-methylaniline

: 98-83-9
isopropenylbenzene

: C16H18FN

Conditions

Conditions	Yield
With C31H49N2ScSi2; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 20 - 120℃; for 36h;	82%
With C31H51N2ScSi2; N,N'-dimethylaniliniumtetrakis(pentafluorophenyl)borate In toluene at 120℃; for 36h; Inert atmosphere; chemoselective reaction;	82%
With 1,1,1,3',3',3'-hexafluoro-propanol; sodium acetate at 80℃; for 12h; chemoselective reaction;	81%

: 1978-38-7
2-fluoro-N-methylaniline

: 1147550-11-5
ammonium thiocyanate

: C8H7FN2S

Conditions

Conditions	Yield
With oxygen In tetrahydrofuran at 20℃; for 4h; Irradiation; chemoselective reaction;	82%

: 7021-09-2
rac-methoxyphenylacetic acid

: 1978-38-7
2-fluoro-N-methylaniline

: 1333643-96-1
N-(2-fluorophenyl)-2-methoxy-N-methyl-2-phenylacetamide

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 17h; Inert atmosphere; optical yield given as %de;	81%

: 577-19-5
2-nitrophenyl bromide

: 1978-38-7
2-fluoro-N-methylaniline

: 908242-57-9
2-fluoro-N-methyl-N-(2-nitrophenyl)aniline

Conditions

Conditions	Yield
With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; tris(dibenzylideneacetone)dipalladium (0) In toluene for 16h; Heating;	79%

: 17202-32-3
1,6-dibromocyclohex-1-ene

: 1978-38-7
2-fluoro-N-methylaniline

: 475040-19-8
N-(2-bromo-2-cyclohexenyl)-2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: 2-fluoro-N-methylaniline With n-butyllithium In tetrahydrofuran; hexane at -50 - 20℃; for 1h; Stage #2: 1,6-dibromocyclohex-1-ene In tetrahydrofuran; hexane for 5.25h; Further stages.;	78%

2-Fluoro-N-methylaniline Specification

The 2-Fluoro-N-methylaniline, with the CAS registry number 1978-38-7, is also known as N-Methyl-2-fluoroaniline. It belongs to the product categories of Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₇H₈FN and molecular weight is 125.14. What's more, its systematic name is 2-Fluoro-N-methylaniline. It is used as pharmaceutical intermediates. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. It should be protected from oxides.

Physical properties of 2-Fluoro-N-methylaniline are: (1)ACD/LogP: 1.887; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 15.76; (6)ACD/BCF (pH 7.4): 15.98; (7)ACD/KOC (pH 5.5): 249.57; (8)ACD/KOC (pH 7.4): 253.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 35.856 cm³; (15)Molar Volume: 113.099 cm³; (16)Polarizability: 14.214×10^-24cm³; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.106 g/cm³; (19)Flash Point: 62.857 °C; (20)Enthalpy of Vaporization: 41.659 kJ/mol; (21)Boiling Point: 180.323 °C at 760 mmHg; (22)Vapour Pressure: 0.9 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1NC
(2)Std. InChI: InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
(3)Std. InChIKey: LDVAIJZDACHGML-UHFFFAOYSA-N

Product Name

2-Fluoro-N-methylaniline

Synthetic route

2-Fluoro-N-methylaniline Specification

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