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5-Fluoropyridin-3-ylboronic acid
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Name

5-Fluoropyridin-3-ylboronic acid

 EINECS 640-175-6
CAS No. 872041-86-6 Density 1.34 g/cm3
PSA 53.35000 LogP -1.09950
Solubility N/A Melting Point 233-236 °C
Formula C5H5BFNO2 Boiling Point 292.9 °C at 760 mmHg
Molecular Weight 140.91 Flash Point 130.9 °C
Transport Information N/A Appearance off-white solid
Safety 26-39-37 Risk Codes 37/38-41-36/37/38
Molecular Structure Molecular Structure of 872041-86-6 (5-Fluoropyridin-3-ylboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, (5-fluoro-3-pyridinyl)- (9CI);(3-Fluoropyridin-5-yl)boronic acid;(5-Fluoropyridin-3-yl)boronic acid;

 

5-Fluoropyridin-3-ylboronic acid Synthetic route

407-20-5

3-bromo-5-fluoropyridine

872041-86-6

5-fluoropyridine-3-boronic acid

Conditions
ConditionsYield
Stage #1: 3-bromo-5-fluoropyridine With n-butyllithium; Triisopropyl borate In tetrahydrofuran at -90 - -80℃; for 2.5h;
Stage #2: With hydrogenchloride; water In tetrahydrofuran at -20 - 10℃; pH=1 - 2;
Stage #3: With sodium hydroxide In water pH=6;		87.4%
872041-86-6

5-fluoropyridine-3-boronic acid

1338094-46-4

7-bromo-3,3-dimethyl-3,4-dihydro-2H,5′Hspiro[naphthalene-1,4′-oxazol]-2′-amine

1338092-82-2

7-(2-fluoropyridin-3-yl)-3,3-dimethyl-3,4-dihydro-2H,5′(1'H)-spiro[naphthalene-1,4′-oxazol]-2′-amine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; toluene at 85℃; for 12h; Suzuki Coupling; Sealed tube; Inert atmosphere;95%
872041-86-6

5-fluoropyridine-3-boronic acid

5,5'-difluoro-3,3'-bipyridine

Conditions
ConditionsYield
With copper(II) choride dihydrate; sodium carbonate In methanol at 25℃; for 0.25h; Green chemistry;93%
872041-86-6

5-fluoropyridine-3-boronic acid

tert butyl N-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbamate

tert-butyl N-[2-(5-fluoro-3-pyridyl)-4-(trifluoromethyl)pyrimidin-5-yl]carbamate

Conditions
ConditionsYield
Stage #1: 5-fluoropyridine-3-boronic acid; tert butyl N-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbamate In ethanol; water; toluene at 20℃; for 0.5h; Inert atmosphere;
Stage #2: With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 85℃; for 8h; Inert atmosphere;		93%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 85℃; for 8h; Inert atmosphere;93%
872041-86-6

5-fluoropyridine-3-boronic acid

tert-butyl 7-chloro-3,4-dihydro-1,4-ethanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxylate

tert-butyl 7-(5-fluoropyridin-3-yl)-3,4-dihydro-1,4-ethanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxylate

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 110℃; for 12h;89%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 110℃; for 12h;89%
872041-86-6

5-fluoropyridine-3-boronic acid

6-bromo-5-methyl-3,4-dihydroisoquinolin-1(2H)-one

6-(5-fluoropyridin-3-yl)-5-methyl-3,4-dihydroisoquinolin-1(2H)-one

Conditions
ConditionsYield
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium carbonate In ethanol; water; toluene at 110℃; for 3h; Suzuki-Miyaura Coupling; Inert atmosphere; Reflux;89%
872041-86-6

5-fluoropyridine-3-boronic acid

1428066-17-4

5-bromo-1-(tetrahydro-2H-pyran-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)-1H-indazole-3-carboxamide

1428066-19-6

5-(5-fluoropyridin-3-yl)-1-(tetrahydro-2H-pyran-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)-1H-indazole-3-carboxamide

Conditions
ConditionsYield
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In water; N,N-dimethyl-formamide at 90℃; for 3h; Suzuki Coupling; Inert atmosphere;88%
In water; N,N-dimethyl-formamide at 90℃;88%
872041-86-6

5-fluoropyridine-3-boronic acid

6-bromo-N-(1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)picolinamide

5'-fluoro-N-(1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)-[2,3'-bipyridine]-6-carboxamide

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 150℃; for 1h; Microwave irradiation;88%
869120-25-2

1-chloro-7-methoxynaphthalen-2-yl trifluoromethanesulfonate

872041-86-6

5-fluoropyridine-3-boronic acid

1447449-89-9

3-(1-chloro-7-methoxynaphthalen-2-yl)-5-fluoropyridine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; toluene for 8h; Suzuki Coupling; Inert atmosphere; Reflux;87%
872041-86-6

5-fluoropyridine-3-boronic acid

(±)-methyl 1-(3-fluoro-2-methyl-phenyl)-3-(trifluoromethylsulfonyloxy)cyclopent-2-ene-1-carboxylate

(±)-methyl 1-(3-fluoro-2-methyl-phenyl)-3-(5-fluoropyridin-3-yl)cyclopent-2-ene-1-carboxylate

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); cesium fluoride In methanol; 1,2-dimethoxyethane at 120℃; for 1h; Microwave irradiation;87%

5-Fluoropyridin-3-ylboronic acid Specification

The 5-Fluoropyridin-3-ylboronic acid, with its CAS registry number 872041-86-6, has the systematic name of (5-fluoro-3-pyridyl)boronic acid. And its product categories are including blocks; BoronicAcids; Pyridines. Besides, it is irritant which may cause inflammation to the skin or other mucous membranes, so you should be careful while using.

The characteristics of 5-Fluoropyridin-3-ylboronic acid are as below: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0  ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.35; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 31.19 cm3; (9)Molar Volume: 104.8 cm3; (10)Polarizability: 12.36×10-24 cm3; (11)Surface Tension: 47 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 130.9 °C; (14)Enthalpy of Vaporization: 56.23 kJ/mol; (15)Boiling Point: 292.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000813 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:B(c1cc(cnc1)F)(O)O
(2)InChI:InChI=1/C5H5BFNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
(3)InChIKey:FVEDGBRHTGXPOK-UHFFFAOYAW

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