- 2-Bromo-5-fluoropyridine
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Cas Database |
| Name |
2-Bromo-5-fluoropyridine |
EINECS | 629-269-8 |
| CAS No. | 41404-58-4 | Density | 1.707 g/cm3 |
| PSA | 12.89000 | LogP | 1.98320 |
| Solubility | N/A | Melting Point |
30-31 °C(lit.) |
| Formula | C5H3BrFN | Boiling Point | 171.6 °C at 760 mmHg |
| Molecular Weight | 175.988 | Flash Point | 57.6 °C |
| Transport Information | UN 2811 | Appearance | light yellow cryst |
| Safety | 26-36-16 | Risk Codes | 36/37/38-20/21/22-10 |
| Molecular Structure |
|
Hazard Symbols |
 Xi,  Xn,  F
|
| Synonyms |
2-Bromo-5-fluoro-pyridine;2-bromo-5-fluoro pyridine;3-fluoro-6-bromopyridine;2-BroMo-5-fluoropyridine;5-fluoro-2-bromopyridine; |
Article Data | 6 |
2-Bromo-5-fluoropyridine Synthetic route
- 21717-96-4
2-amino-5-fluoropyridine
- 41404-58-4
2-bromo-5-fluoropyridine
| Conditions | Yield |
|---|---|
| Stage #1: 2-amino-5-fluoropyridine With hydrogen bromide; bromine; sodium nitrite In water at 0 - 5℃; for 1h; Stage #2: With sodium hydroxide In water at 20℃; for 0.333333h; | 66% |
| Stage #1: 2-amino-5-fluoropyridine With hydrogen bromide; bromine at 0℃; for 0.333333h; Stage #2: With sodium nitrite In water at -10℃; for 2h; Stage #3: With sodium hydroxide In water at 5℃; for 0.5h; | 36% |
| Sandmayer reaction; |
- 41404-58-4
2-bromo-5-fluoropyridine
| Conditions | Yield |
|---|---|
| With urea hydrogen peroxide adduct; trifluoroacetic anhydride In chloroform at 20℃; for 15h; | 100% |
| With dihydrogen peroxide; trifluoroacetic acid In water at 80℃; for 16h; | 90% |
| With dihydrogen peroxide; trifluoroacetic anhydride In dichloromethane; water at 0 - 20℃; for 18h; | 76% |
- 41404-58-4
2-bromo-5-fluoropyridine
- 146553-06-2, 87694-49-3
tert-butyl {(S)-1-[methoxy(methyl)amino]-1-oxopropan-2-yl}carbamate
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-5-fluoropyridine With TurboGrignard In tetrahydrofuran at 0 - 20℃; for 2.33333h; Inert atmosphere; Stage #2: tert-butyl {(S)-1-[methoxy(methyl)amino]-1-oxopropan-2-yl}carbamate With methylmagnesium bromide In tetrahydrofuran at -20 - 20℃; for 1.5h; Inert atmosphere; | 100% |
- 41404-58-4
2-bromo-5-fluoropyridine
- 137076-22-3
tert butyl 4-formylpiperidine-1-carboxylate
- 918501-72-1
C16H23FN2O3
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-5-fluoropyridine; tert butyl 4-formylpiperidine-1-carboxylate With n-butyllithium In toluene at -78℃; for 2.5h; Stage #2: With water; acetic acid In toluene at -78℃; | 99% |
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos In toluene at 100℃; for 24h; Inert atmosphere; | 99% |
- 109-01-3
1-methyl-piperazine
- 41404-58-4
2-bromo-5-fluoropyridine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos In toluene at 100℃; for 24h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate; XPhos In toluene at 100℃; for 24h; Inert atmosphere; | 99% |
- 41404-58-4
2-bromo-5-fluoropyridine
- 1041837-79-9
5,5’-difluoro-2,2’-bipyridine
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; potassium acetate; bis(pinacol)diborane In ethanol at 60℃; for 18h; Suzuki-Miyaura Coupling; Inert atmosphere; | 98.2% |
| With indium; lithium chloride; palladium diacetate In N,N-dimethyl-formamide at 100℃; for 1h; | 89% |
| With indium; palladium diacetate; lithium chloride In N,N-dimethyl-formamide at 100℃; for 2h; Inert atmosphere; | 80% |
- 41404-58-4
2-bromo-5-fluoropyridine
- 201802-67-7
4-(diphenylamino)phenyl boronic acid
- 1263145-39-6
4-(5-fluoropyridin-2-yl)-N,N-diphenylaniline
| Conditions | Yield |
|---|---|
| With potassium phosphate tribasic heptahydrate; palladium diacetate In water; isopropyl alcohol at 80℃; for 0.2h; Suzuki reaction; | 98% |
| With palladium diacetate; potassium carbonate In ethanol; water at 80℃; for 0.166667h; Suzuki Coupling; | 92% |
| With palladium diacetate; potassium carbonate In ethanol; water at 80℃; Suzuki Coupling; |
- 41404-58-4
2-bromo-5-fluoropyridine
- 375853-82-0, 286961-14-6
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In tetrahydrofuran at 90℃; for 48h; | 98% |
2-Bromo-5-fluoropyridine Specification
The 2-Bromo-5-fluoropyridine, with the CAS registry number 41404-58-4, is also known as . It belongs to the product categories of Fluorin-contained pyridine series; Blocks; Bromides; FluoroCompounds; Pyridines; Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine series; Fluorinated; Organohalides; Bromopyridines; Fluoropyridines; Halopyridines; Boronic Acid; C5 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Variety of halogenated heterocyclic series. This chemical's molecular formula is C5H3BrFN and molecular weight is 175.99. Its IUPAC name is called 2-bromo-5-fluoropyridine. This chemical should be sealed in cool and dry place. It is light yellow cryst wihch can be used as organic intermediates.
Physical properties of 2-Bromo-5-fluoropyridine: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.23; (6)ACD/BCF (pH 7.4): 8.23; (7)ACD/KOC (pH 5.5): 157.41; (8)ACD/KOC (pH 7.4): 157.41; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 32.02 cm3; (14)Molar Volume: 103 cm3; (15)Surface Tension: 39.9 dyne/cm; (16)Density: 1.707 g/cm3; (17)Flash Point: 57.6 °C; (18)Enthalpy of Vaporization: 39.12 kJ/mol; (19)Boiling Point: 171.6 °C at 760 mmHg; (20)Vapour Pressure: 1.85 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It also may catch fire in contact with air, which only need brief contact with an ignition source and has a very low flash point or evolve highly flammable gases in contact with water. In addition, it is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. You should keep away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC=C1F)Br
(2)InChI: InChI=1S/C5H3BrFN/c6-5-2-1-4(7)3-8-5/h1-3H
(3)InChIKey: UODINHBLNPPDPD-UHFFFAOYSA-N
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