CAS No.484-94-6,2-Fluoro-6-nitroanisole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	484-94-6
Name:	2-Fluoro-6-nitroanisole
Article Data:	12

Formula:	C₇H₆FNO₃
Molecular Weight:	171.128
Synonyms:	Anisole,2-fluoro-6-nitro- (6CI,8CI);1-Fluoro-2-methoxy-3-nitrobenzene;2-Fluoro-6-nitroanisole;1-fluoro-2-methoxy-3-nitrobenzene;2-Fluoro-6-nitro anisole;2-Fluoro-6-nitrophenyl methyl ether;benzene, 1-fluoro-2-methoxy-3-nitro-;
Density:	1.321 g/cm³
Melting Point:	9 °C
Boiling Point:	266.4 °C at 760 mmHg
Flash Point:	114.9 °C
PSA:	55.05000
LogP:	2.26570

Synthetic route

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 437-83-2
3-fluoro-2-methoxyaniline

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate for 24h;	94%
With platinum Hydrogenation;
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 27h;

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 100-37-8
2-(Diethylamino)ethanol

: N,N-diethyl-2-(2-methoxy-3-nitrophenoxy)ethanamine

Conditions

Conditions	Yield
Stage #1: 2-(Diethylamino)ethanol With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.666667h; Stage #2: 1-fluoro-2-methoxy-3-nitrobenzene In N,N-dimethyl-formamide at 20℃;	19%

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 845829-94-9
1-bromo-2-methoxy-3-fluorobenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C View Scheme
Multi-step reaction with 2 steps 1.1: palladium 10% on activated carbon; hydrogen / methanol / 4 h / 20 °C / 2844.39 Torr 2.1: sodium nitrite / water / 1 h / -5 - 0 °C 2.2: 2 h / 0 - 50 °C View Scheme
Multi-step reaction with 2 steps 1.1: hydrogen; palladium 10% on activated carbon / methanol / 4 h / 20 °C / 2844.39 Torr 2.1: sodium nitrite; hydrogen bromide / water / 1 h / -5 - 0 °C 2.2: 2 h / 0 - 50 °C View Scheme
Multi-step reaction with 2 steps 1.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 2844.39 Torr 2.1: hydrogen bromide; sodium nitrite / water / 1 h / -5 - 0 °C 2.2: 2 h / 0 - 50 °C View Scheme

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 194804-92-7
4-bromo-2-fluoro-3-methoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C 3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C 3.2: tetrahydrofuran; hexane / -78 - 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: palladium 10% on activated carbon; hydrogen / methanol / 4 h / 20 °C / 2844.39 Torr 2.1: sodium nitrite / water / 1 h / -5 - 0 °C 2.2: 2 h / 0 - 50 °C 3.1: diisopropylamine; n-butyllithium / tetrahydrofuran / 1 h / -70 °C View Scheme
Multi-step reaction with 3 steps 1.1: hydrogen; palladium 10% on activated carbon / methanol / 4 h / 20 °C / 2844.39 Torr 2.1: sodium nitrite; hydrogen bromide / water / 1 h / -5 - 0 °C 2.2: 2 h / 0 - 50 °C 3.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -70 °C View Scheme

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 4-bromo-2-fluoro-3-methoxybenzoic acid chloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C 3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C 3.2: tetrahydrofuran; hexane / -78 - 20 °C 4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C View Scheme

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 194804-99-4
ethyl 3-(4-bromo-2-fluoro-3-methoxyphenyl)-3-oxopropionate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C 3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C 3.2: tetrahydrofuran; hexane / -78 - 20 °C 4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C 5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C View Scheme

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 846564-00-9
7-bromo-9-cyclopropyl-8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-dione

Conditions

Conditions	Yield
Multi-step reaction with 10 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C 3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C 3.2: tetrahydrofuran; hexane / -78 - 20 °C 4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C 5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C 6.1: sodium hydride / dimethylformamide / 0 - 20 °C 6.2: 76 percent / dimethylformamide / 24 h / 20 °C 7.1: sodium hydride / dimethylformamide / 72 h / 75 °C 8.1: 290.9 mg / m-chloroperbenzoic acid / CH2Cl2 / 1 h / 20 °C 9.1: sodium hydrosulfide / dimethylformamide / 1 h / 50 °C 10.1: 121.9 g / aq. NaHCO3; hydroxylamine-O-sulfonic acid / tetrahydrofuran / 2.5 h / 20 °C View Scheme

Yield

Multi-step reaction with 10 steps
1.1: H2 / Pd/C / methanol / 27 h / 20 °C
2.1: aq. HBr; NaNO2 / 0 - 5 °C
2.2: CuBr; aq. HBr / 60 °C
3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C
3.2: tetrahydrofuran; hexane / -78 - 20 °C
4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C
5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C
5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C
6.1: sodium hydride / dimethylformamide / 0 - 20 °C
6.2: 76 percent / dimethylformamide / 24 h / 20 °C
7.1: sodium hydride / dimethylformamide / 72 h / 75 °C
8.1: 290.9 mg / m-chloroperbenzoic acid / CH2Cl2 / 1 h / 20 °C
9.1: sodium hydrosulfide / dimethylformamide / 1 h / 50 °C
10.1: 121.9 g / aq. NaHCO3; hydroxylamine-O-sulfonic acid / tetrahydrofuran / 2.5 h / 20 °C
View Scheme

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 846563-98-2
ethyl 7-bromo-1-cyclopropyl-8-methoxy-2-methylsulfanyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C 3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C 3.2: tetrahydrofuran; hexane / -78 - 20 °C 4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C 5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C 6.1: sodium hydride / dimethylformamide / 0 - 20 °C 6.2: 76 percent / dimethylformamide / 24 h / 20 °C 7.1: sodium hydride / dimethylformamide / 72 h / 75 °C View Scheme

Yield

Multi-step reaction with 7 steps
1.1: H2 / Pd/C / methanol / 27 h / 20 °C
2.1: aq. HBr; NaNO2 / 0 - 5 °C
2.2: CuBr; aq. HBr / 60 °C
3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C
3.2: tetrahydrofuran; hexane / -78 - 20 °C
4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C
5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C
5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C
6.1: sodium hydride / dimethylformamide / 0 - 20 °C
6.2: 76 percent / dimethylformamide / 24 h / 20 °C
7.1: sodium hydride / dimethylformamide / 72 h / 75 °C
View Scheme

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 846564-01-0
ethyl 7-bromo-1-cyclopropyl-2-mercapto-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 9 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C 3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C 3.2: tetrahydrofuran; hexane / -78 - 20 °C 4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C 5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C 6.1: sodium hydride / dimethylformamide / 0 - 20 °C 6.2: 76 percent / dimethylformamide / 24 h / 20 °C 7.1: sodium hydride / dimethylformamide / 72 h / 75 °C 8.1: 290.9 mg / m-chloroperbenzoic acid / CH2Cl2 / 1 h / 20 °C 9.1: sodium hydrosulfide / dimethylformamide / 1 h / 50 °C View Scheme

Yield

Multi-step reaction with 9 steps
1.1: H2 / Pd/C / methanol / 27 h / 20 °C
2.1: aq. HBr; NaNO2 / 0 - 5 °C
2.2: CuBr; aq. HBr / 60 °C
3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C
3.2: tetrahydrofuran; hexane / -78 - 20 °C
4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C
5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C
5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C
6.1: sodium hydride / dimethylformamide / 0 - 20 °C
6.2: 76 percent / dimethylformamide / 24 h / 20 °C
7.1: sodium hydride / dimethylformamide / 72 h / 75 °C
8.1: 290.9 mg / m-chloroperbenzoic acid / CH2Cl2 / 1 h / 20 °C
9.1: sodium hydrosulfide / dimethylformamide / 1 h / 50 °C
View Scheme

: 484-94-6
1-fluoro-2-methoxy-3-nitrobenzene

: 846563-99-3
ethyl 7-bromo-1-cyclopropyl-2-methanesulfinyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1.1: H2 / Pd/C / methanol / 27 h / 20 °C 2.1: aq. HBr; NaNO2 / 0 - 5 °C 2.2: CuBr; aq. HBr / 60 °C 3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C 3.2: tetrahydrofuran; hexane / -78 - 20 °C 4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C 5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C 6.1: sodium hydride / dimethylformamide / 0 - 20 °C 6.2: 76 percent / dimethylformamide / 24 h / 20 °C 7.1: sodium hydride / dimethylformamide / 72 h / 75 °C 8.1: 290.9 mg / m-chloroperbenzoic acid / CH2Cl2 / 1 h / 20 °C View Scheme

Yield

Multi-step reaction with 8 steps
1.1: H2 / Pd/C / methanol / 27 h / 20 °C
2.1: aq. HBr; NaNO2 / 0 - 5 °C
2.2: CuBr; aq. HBr / 60 °C
3.1: LDA / tetrahydrofuran; hexane / 1.5 h / -78 °C
3.2: tetrahydrofuran; hexane / -78 - 20 °C
4.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C
5.1: n-BuLi / hexane; tetrahydrofuran / -78 °C
5.2: 4.70 g / hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C
6.1: sodium hydride / dimethylformamide / 0 - 20 °C
6.2: 76 percent / dimethylformamide / 24 h / 20 °C
7.1: sodium hydride / dimethylformamide / 72 h / 75 °C
8.1: 290.9 mg / m-chloroperbenzoic acid / CH2Cl2 / 1 h / 20 °C
View Scheme

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Specification

The 2-Fluoro-6-nitroanisole, with the CAS registry number 484-94-6, has the systematic name of 1-fluoro-2-methoxy-3-nitrobenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C₇H₆FNO₃.

The physical properties of 2-Fluoro-6-nitroanisole are as following: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.23; (6)ACD/BCF (pH 7.4): 10.23; (7)ACD/KOC (pH 5.5): 183.92; (8)ACD/KOC (pH 7.4): 183.92; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 39.47 cm³; (15)Molar Volume: 129.4 cm³; (16)Polarizability: 15.64×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.321 g/cm³; (19)Flash Point: 114.9 °C; (20)nthalpy of Vaporization: 48.41 kJ/mol; (21)Boiling Point: 266.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0142 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc([N+]([O-])=O)c1OC
(2)InChI: InChI=1/C7H6FNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
(3)InChIKey: RVPBBFKWSJLAPD-UHFFFAOYAN