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| CAS No.: | 888327-36-4 |
|---|---|
| Name: | 2-Bromo-5-trifluoromethoxypyridine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H3BrF3NO |
| Molecular Weight: | 241.995 |
| Synonyms: | Pyridine,2-bromo-5-(trifluoromethoxy);2-BROMO-5-TRIFLUOROMETHOXYPYRIDINE; |
| Density: | 1.737 g/cm3 |
| Boiling Point: | 194.1 °C at 760 mmHg |
| Flash Point: | 71.2 °C |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 22.12000 |
| LogP: | 2.74270 |
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- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 1206972-45-3
2-chloro-5-(trifluoromethoxy)pyridine
- 888327-36-4
2-bromo-5-(trifluoromethoxy)pyridine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In dichloromethane; water at 0℃; for 18h; | 100% |
- 888327-36-4
2-bromo-5-(trifluoromethoxy)pyridine
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With copper In dimethyl sulfoxide at 80℃; | 62% |
- 888327-36-4
2-bromo-5-(trifluoromethoxy)pyridine
- 124-38-9
carbon dioxide
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With 2-Picolinic acid; potassium phosphate; copper(l) iodide In dimethyl sulfoxide at 80℃; for 19h; Inert atmosphere; | 31% |
- Total:38 Page 1 of 1 1
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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