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Pyridine,2-bromo-5-(trifluoromethoxy)-
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Name

Pyridine,2-bromo-5-(trifluoromethoxy)-

 EINECS N/A
CAS No. 888327-36-4 Density 1.737 g/cm3
PSA 22.12000 LogP 2.74270
Solubility N/A Melting Point N/A
Formula C6H3BrF3NO Boiling Point 194.1 °C at 760 mmHg
Molecular Weight 241.995 Flash Point 71.2 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 888327-36-4 (2-Bromo-5-trifluoromethoxypyridine) Hazard Symbols N/A
Synonyms

Pyridine,2-bromo-5-(trifluoromethoxy);2-BROMO-5-TRIFLUOROMETHOXYPYRIDINE;

Article Data 5

Pyridine,2-bromo-5-(trifluoromethoxy)- Synthetic route

1206972-45-3

2-chloro-5-(trifluoromethoxy)pyridine

888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

Conditions
ConditionsYield
With trimethylsilyl bromide In propiononitrile for 24h; Reflux;81%
With trimethylsilyl bromide In propiononitrile at 100℃; for 72h;81%
55717-45-8

6-bromo-pyridin-3-ol

56-23-5

tetrachloromethane

888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

Conditions
ConditionsYield
Stage #1: 6-bromo-pyridin-3-ol; tetrachloromethane With antimony pentafluoride at 150℃; for 8h;
Stage #2: With potassium hydroxide In water		2.9%
223463-14-7

6-bromopyridin-3-ylboronic acid

888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dihydrogen peroxide; acetic acid / tetrahydrofuran / 0 - 20 °C
2: antimony pentafluoride / 8 h / 150 °C
View Scheme
888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

407-25-0

trifluoroacetic anhydride

2-bromo-5-(trifluoromethoxy)pyridin-1-ium-1-olate

Conditions
ConditionsYield
With dihydrogen peroxide In dichloromethane; water at 0℃; for 18h;100%
888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

2,2-dimethyl-1-(2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1-(pyrimidin-5-yl)propan-1-ol

2,2-dimethyl-1-(2-methyl-4-(5-(trifluoromethoxy)pyridin-2-yl)phenyl)-1-(pyrimidin-5-yl)propan-1-ol

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In water; N,N-dimethyl-formamide at 120℃; for 0.5h; Suzuki Coupling; Inert atmosphere; Microwave irradiation;93%
888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

667-27-6

Ethyl bromodifluoroacetate

ethyl 2,2-difluoro-2-(5-(trifluoromethoxy)pyridin-2-yl)acetate

Conditions
ConditionsYield
With copper In dimethyl sulfoxide at 80℃;62%
888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

124-38-9

carbon dioxide

5-(trifluoromethoxy)picolinic acid

Conditions
ConditionsYield
Stage #1: 2-bromo-5-(trifluoromethoxy)pyridine With n-butyllithium In hexane; toluene at -100 - -78℃;
Stage #2: carbon dioxide In hexane; toluene
Stage #3: With hydrogenchloride In water pH=4;		60%
Stage #1: 2-bromo-5-(trifluoromethoxy)pyridine With n-butyllithium In hexane; toluene at -78℃; for 2h;
Stage #2: carbon dioxide In hexane; toluene
Stage #3: With hydrogenchloride In hexane; water; toluene pH=4;		60%
888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

1009307-13-4

ethyl (2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acrylate

(E)-ethyl 3-(5-(trifluoromethoxy)pyridin-2-yl)acrylate

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,2-dimethoxyethane; water at 110℃; for 0.5h; Microwave irradiation; Sealed tube; Inert atmosphere;56%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,2-dimethoxyethane; water at 110℃; for 0.5h; Microwave irradiation;56%
7343-33-1

3-bromo-1H-1,2,4-triazole

888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

2-(3-bromo-1H-1,2,4-triazol-1-yl)-5-(trifluoromethoxy)pyridine

Conditions
ConditionsYield
With copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide at 100℃; for 1h; Inert atmosphere; Microwave irradiation;31%
With copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide at 100℃; for 1h; Sealed tube; Microwave irradiation;31%
888327-36-4

2-bromo-5-(trifluoromethoxy)pyridine

4068-78-4

methyl 5-chloro-2-hydroxybenzoate

methyl 5-chloro-2-[[5-(trifluoromethoxy)-2-pyridyl]oxy]benzoate

Conditions
ConditionsYield
With 2-Picolinic acid; potassium phosphate; copper(l) iodide In dimethyl sulfoxide at 80℃; for 19h; Inert atmosphere;31%

Pyridine,2-bromo-5-(trifluoromethoxy)- Specification

The Pyridine,2-bromo-5-(trifluoromethoxy)-, with CAS registry number 888327-36-4, has the systematic name of 2-Bromo-5-(trifluoromethoxy)pyridine. Its molecular weight is 241.99. And the chemical formula of this chemical is C6H3BrF3NO.

Physical properties of Pyridine,2-bromo-5-(trifluoromethoxy)-: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 152.57; (6)ACD/BCF (pH 7.4): 152.57; (7)ACD/KOC (pH 5.5): 1272.14; (8)ACD/KOC (pH 7.4): 1272.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 39.16 cm3; (15)Molar Volume: 139.2 cm3; (16)Polarizability: 15.52×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.737 g/cm3; (19)Flash Point: 71.2 °C; (20)Enthalpy of Vaporization: 41.27 kJ/mol; (21)Boiling Point: 194.1 °C at 760 mmHg; (22)Vapour Pressure: 0.627 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1OC(F)(F)F)Br
(2)InChI: InChI=1/C6H3BrF3NO/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H
(3)InChIKey: RKXYQQVLVNEAFB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H3BrF3NO/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H
(5)Std. InChIKey: RKXYQQVLVNEAFB-UHFFFAOYSA-N

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