Product Name

  • Name

    2-Chloro-6-fluoroanisole

  • EINECS
  • CAS No. 53145-38-3
  • Article Data2
  • CAS DataBase
  • Density 1.239 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H6ClFO
  • Boiling Point 186.4 °C at 760 mmHg
  • Molecular Weight 160.575
  • Flash Point 66.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 53145-38-3 (2-Chloro-6-fluoroanisole)
  • Hazard Symbols IrritantXi
  • Synonyms 1-Chloro-3-fluoro-2-Methoxybenzene;1-Chloro-3-fluoro-2-methoxybenzene, 2-Chloro-6-fluorophenyl methyl ether
  • PSA 9.23000
  • LogP 2.48770

Synthetic route

2-chloro-6-fluorophenol
2040-90-6

2-chloro-6-fluorophenol

methyl iodide
74-88-4

methyl iodide

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran at 20℃; for 3h;94%
1,2-Dichloro-3-nitrobenzene
3209-22-1

1,2-Dichloro-3-nitrobenzene

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: diisopropylamine / methanol / 5 h / 60 °C
2.1: hydrogen; 1% platinum on charcoal / toluene / 18 h / 40 °C / 3375.34 Torr / Autoclave
3.1: hydrogenchloride / water / 0.5 h / 50 °C
3.2: 2 h / 0 °C
3.3: 1 h
View Scheme
3-chloro-2-methoxyaniline
51114-68-2

3-chloro-2-methoxyaniline

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

Conditions
ConditionsYield
Stage #1: 3-chloro-2-methoxyaniline With hydrogenchloride In water at 50℃; for 0.5h;
Stage #2: With sodium nitrite In water at 0℃; for 2h;
Stage #3: With tetrafluoroboric acid In water for 1h; Temperature; Reagent/catalyst;		26 g
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid
944129-07-1

(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane at -78 - -70.1℃; for 1.75h;
Stage #2: With Trimethyl borate In 1,2-dimethoxyethane at -67 - 20℃; Time; Temperature; Further stages;		93%
Multi-step reaction with 2 steps
1.1: n-butyllithium / 1,2-dimethoxyethane; hexane / 1.75 h / -77 - -70.1 °C / Inert atmosphere
1.2: 1.37 h / -74.1 - 23.1 °C
2.1: potassium hydroxide; water / 1,2-dimethoxyethane / 2 h / 30 °C / Cooling
View Scheme
Trimethyl borate
121-43-7

Trimethyl borate

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid
944129-07-1

(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor;92%
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane at -65℃; Inert atmosphere;
Stage #2: Trimethyl borate In 1,2-dimethoxyethane at -65 - 30℃; Time; Inert atmosphere;
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
61676-62-8

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

2-(4-chloro-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1126321-06-9

2-(4-chloro-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor;92%
N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

4-chloro-2-fluoro-3-methoxybenzaldehyde
1002344-97-9

4-chloro-2-fluoro-3-methoxybenzaldehyde

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor;88%
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

5-[(3R)-3-(3-chloro-2-methoxyphenoxy)pyrrolidin-1-yl]-5-methyl-2,2-diphenylhexanenitrile

5-[(3R)-3-(3-chloro-2-methoxyphenoxy)pyrrolidin-1-yl]-5-methyl-2,2-diphenylhexanenitrile

Conditions
ConditionsYield
Stage #1: 5-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyl-2,2-diphenylhexanenitrile With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h;
Stage #2: 1-chloro-3-fluoro-2-methoxybenzene In N,N-dimethyl-formamide at 60℃; for 96h;
Stage #3: With water In ethyl acetate; N,N-dimethyl-formamide		74%
chloroacetyl chloride
79-04-9

chloroacetyl chloride

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

C9H7Cl2FO2

C9H7Cl2FO2

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-hexyllithium In tetrahydrofuran; hexane at -60℃; for 1h;
Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -60 - -10℃;
Stage #3: chloroacetyl chloride; copper(l) chloride In tetrahydrofuran; hexane at -10 - 20℃; Further stages.;		71%
Benzyloxyacetyl chloride
19810-31-2

Benzyloxyacetyl chloride

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

C16H14ClFO3

C16H14ClFO3

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-hexyllithium In tetrahydrofuran; hexane at -60℃; for 1h;
Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -60 - -10℃;
Stage #3: Benzyloxyacetyl chloride; copper(l) chloride In tetrahydrofuran; hexane at -10 - 20℃; Further stages.;		70%
carbon dioxide
124-38-9

carbon dioxide

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

4-chloro-2-fluoro-3-methoxybenzoic acid
1169870-80-7

4-chloro-2-fluoro-3-methoxybenzoic acid

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor;64%
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

2-anilineboronic acid pinacol ester
191171-55-8

2-anilineboronic acid pinacol ester

C13H12FNO

C13H12FNO

Conditions
ConditionsYield
With allylchloro[1,3-bis(2,6-di-isopropylphenyl)imidazol-2-ylidene]palladium(II); barium(II) hydroxide In isopropyl alcohol at 80℃; for 6h;63%
methyl 4-methoxypicolinate
29681-43-4

methyl 4-methoxypicolinate

phenyl chloroformate
1885-14-9

phenyl chloroformate

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-5,6-dihydro-4H-pyridine-1,2-dicarboxylic acid 2-methyl ester 1-phenyl ester
1257337-12-4

6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-5,6-dihydro-4H-pyridine-1,2-dicarboxylic acid 2-methyl ester 1-phenyl ester

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In tetrahydrofuran; hexane at -60 - -48℃; for 1h; Inert atmosphere;
Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -45℃; for 2.5h;
Stage #3: methyl 4-methoxypicolinate; phenyl chloroformate		57%
...Expand
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

2-chloro-6-fluorophenol
2040-90-6

2-chloro-6-fluorophenol

Conditions
ConditionsYield
With pyridine hydrochloride
With boron tribromide In dichloromethane at -78 - 20℃; for 16h;
Hexanoyl chloride
142-61-0

Hexanoyl chloride

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

A

1-(3-chloro-5-fluoro-4-methoxyphenyl)-1-hexanone
371757-70-9

1-(3-chloro-5-fluoro-4-methoxyphenyl)-1-hexanone

B

C12H14O2FCl

C12H14O2FCl

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane Friedel-Crafts acylation;
...Expand
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

C14H16O2FCl

C14H16O2FCl

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: AlCl3 / CH2Cl2
2: K2CO3
View Scheme
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

C14H16O2FCl

C14H16O2FCl

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: AlCl3 / CH2Cl2
2.2: H2SO4 / toluene
View Scheme
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

α-bis-(2-Fluor-6-chlorphenoxy)essigsaeure
53145-35-0

α-bis-(2-Fluor-6-chlorphenoxy)essigsaeure

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Py*HCl
2: NaOEt
View Scheme
Hexanoyl chloride
142-61-0

Hexanoyl chloride

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

1-(3-chloro-5-fluoro-4-methoxyphenyl)-1-hexanone
371757-70-9

1-(3-chloro-5-fluoro-4-methoxyphenyl)-1-hexanone

Conditions
ConditionsYield
aluminium trichloride In water
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

6-chloro-2-fluoro-3-lithioanisole

6-chloro-2-fluoro-3-lithioanisole

Conditions
ConditionsYield
With n-butyllithium In 1,2-dimethoxyethane; hexane at -70 - -50℃; for 0.333333h; Product distribution / selectivity; Cooling with dry ice bath;
With n-butyllithium In tetrahydrofuran; hexane at -70 - -48℃; for 0.75h; Product distribution / selectivity;
With n-butyllithium In hexanes; 1,2-dimethoxyethane at -70 - -55℃; for 1.5h; Product distribution / selectivity;
With n-butyllithium In hexanes; 1,2-dimethoxyethane at -73.4 - -65℃; for 1.90333 - 4.48333h; Product distribution / selectivity; Cooling with acetone-dry ice;
With n-butyllithium In 1,2-dimethoxyethane; hexane at -72℃; for 2.01667h; Cooling with acetone-dry ice;
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

zinc(II) chloride
7646-85-7

zinc(II) chloride

(4-chloro-2-fluoro-3-methoxyphenyl)zinc(II) chloride
1257337-33-9

(4-chloro-2-fluoro-3-methoxyphenyl)zinc(II) chloride

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In tetrahydrofuran; hexane at -60 - -48℃; for 1h; Inert atmosphere;
Stage #2: zinc(II) chloride In tetrahydrofuran; hexane at -60 - -45℃; for 2.5h; Inert atmosphere;
Trimethyl borate
121-43-7

Trimethyl borate

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

4-chloro-2-fluoro-3-methoxyphenyl dimethylboronate
1426539-30-1

4-chloro-2-fluoro-3-methoxyphenyl dimethylboronate

Conditions
ConditionsYield
With n-butyllithium In 1,2-dimethoxyethane; hexane for 0.616667h; Molecular sieve;
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane; hexane at -77 - -70.1℃; for 1.75h; Inert atmosphere;
Stage #2: Trimethyl borate In 1,2-dimethoxyethane; hexane at -74.1 - 23.1℃; for 1.36667h;
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

4,3'-dichloro-2-fluoro-3,2'-dimethoxybiphenyl
1426539-35-6

4,3'-dichloro-2-fluoro-3,2'-dimethoxybiphenyl

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane; hexane at -70℃; Molecular sieve; Inert atmosphere;
Stage #2: at -48 - 1℃; Inert atmosphere;
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

halauxifen methyl ester

halauxifen methyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / 1,2-dimethoxyethane / -65 °C / Inert atmosphere
1.2: -65 - 30 °C / Inert atmosphere
2.1: palladium diacetate; triphenylphosphine / 1,2-dimethoxyethane; acetonitrile / Inert atmosphere
2.2: 2.5 h / 50 °C
3.1: acetyl chloride / methanol / 7 h / 50 °C / Inert atmosphere
View Scheme
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

methyl 4-(acetylamino)-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
943831-44-5

methyl 4-(acetylamino)-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: n-butyllithium / 1,2-dimethoxyethane / -65 °C / Inert atmosphere
1.2: -65 - 30 °C / Inert atmosphere
2.1: palladium diacetate; triphenylphosphine / 1,2-dimethoxyethane; acetonitrile / Inert atmosphere
2.2: 2.5 h / 50 °C
View Scheme
Multi-step reaction with 3 steps
1: n-butyllithium / 1,2-dimethoxyethane; hexane / 2.02 h / -72 °C / Cooling with acetone-dry ice
2: 1,2-dimethoxyethane; hexane / -72 °C / Cooling with acetone-dry ice
3: palladium diacetate; potassium carbonate; triphenylphosphine; tetrabutylammomium bromide / toluene; acetonitrile; water / 2 h / 65 °C / Inert atmosphere
View Scheme
Multi-step reaction with 4 steps
1.1: n-butyllithium / 1,2-dimethoxyethane; hexane / 1.75 h / -77 - -70.1 °C / Inert atmosphere
1.2: 1.37 h / -74.1 - 23.1 °C
2.1: potassium hydroxide; water / 1,2-dimethoxyethane / 2 h / 30 °C / Cooling
3.1: ethyl acetate / 2 h / 23.1 °C / Inert atmosphere
4.1: triphenylphosphine; palladium diacetate / acetonitrile / 0.08 h / Inert atmosphere
4.2: 2 h / 60 °C / Inert atmosphere
View Scheme
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

4-chloro-2-fluoro-3-methoxyphenyl dimethylboronate
1426539-30-1

4-chloro-2-fluoro-3-methoxyphenyl dimethylboronate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: n-butyllithium / 1,2-dimethoxyethane; hexane / 2.02 h / -72 °C / Cooling with acetone-dry ice
2: 1,2-dimethoxyethane; hexane / -72 °C / Cooling with acetone-dry ice
View Scheme
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

2-(4-chloro-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1126321-06-9

2-(4-chloro-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: n-butyllithium / 1,2-dimethoxyethane; hexane / 1.75 h / -77 - -70.1 °C / Inert atmosphere
1.2: 1.37 h / -74.1 - 23.1 °C
2.1: potassium hydroxide; water / 1,2-dimethoxyethane / 2 h / 30 °C / Cooling
3.1: ethyl acetate / 2 h / 23.1 °C / Inert atmosphere
View Scheme
N-fluorobis(benzenesulfon)imide
133745-75-2

N-fluorobis(benzenesulfon)imide

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

A

N-(3-chloro-5-fluoro-4-methoxyphenyl)-N-(phenylsulfonyl)benzenesulfonamide
1453101-06-8

N-(3-chloro-5-fluoro-4-methoxyphenyl)-N-(phenylsulfonyl)benzenesulfonamide

B

C19H15ClFNO5S2
1453101-26-2

C19H15ClFNO5S2

Conditions
ConditionsYield
With [Ag(2,2'-bipyridine)2](ClO4); C20H28N4O2Pd*2CHF3O3S In acetonitrile at 23℃; for 24h; Inert atmosphere; Sealed tube; Overall yield = 78 %; Overall yield = 106.7 mg;
...Expand
N-fluorobis(benzenesulfon)imide
133745-75-2

N-fluorobis(benzenesulfon)imide

1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

A

N-(3-chloro-5-fluoro-4-methoxyphenyl)-N-(phenylsulfonyl)benzenesulfonamide
1453101-06-8

N-(3-chloro-5-fluoro-4-methoxyphenyl)-N-(phenylsulfonyl)benzenesulfonamide

B

C19H15ClFNO5S2
1453101-26-2

C19H15ClFNO5S2

C

C19H15ClFNO5S2

C19H15ClFNO5S2

Conditions
ConditionsYield
With [Ag(2,2'-bipyridine)2](ClO4); C20H28N4O2Pd(2+)*2CF3O3S(1-) In acetonitrile at 23℃; for 24h; Inert atmosphere; Sealed tube; Overall yield = 78 %; Overall yield = 106.7 mg;
...Expand
1-chloro-3-fluoro-2-methoxybenzene
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

C31H32FNO2

C31H32FNO2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: allylchloro[1,3-bis(2,6-di-isopropylphenyl)imidazol-2-ylidene]palladium(II); barium(II) hydroxide / isopropyl alcohol / 6 h / 80 °C
2: Amberlyst 15(H) / toluene / 6 h / Dean-Stark; Reflux
View Scheme

2-Chloro-6-fluoroanisole Specification

The 2-Chloro-6-fluoroanisole, with the CAS registry number 53145-38-3, is also known as ZINC02382266. This chemical's molecular formula is C7H6ClFO and molecular weight is 160.573343. Its IUPAC name is called 1-chloro-3-fluoro-2-methoxybenzene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-Chloro-6-fluoroanisole: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 29.64; (5)ACD/BCF (pH 7.4): 29.64; (6)ACD/KOC (pH 5.5): 393.68; (7)ACD/KOC (pH 7.4): 393.68; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.495; (11)Molar Refractivity: 37.82 cm3; (12)Molar Volume: 129.5 cm3; (13)Surface Tension: 31.4 dyne/cm; (14)Density: 1.239 g/cm3; (15)Flash Point: 66.5 °C; (16)Enthalpy of Vaporization: 40.53 kJ/mol; (17)Boiling Point: 186.4 °C at 760 mmHg; (18)Vapour Pressure: 0.913 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC=C1Cl)F
(2)InChI: InChI=1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3)InChIKey: QASFEHCRPLPGES-UHFFFAOYSA-N

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