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CAS No. : | 38186-87-7 | MDL No. : | MFCD11036153 |
Formula : | C6H3BrFNO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 220.00 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
/BRN= 386414/, KMnO4; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 48h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 48 h / 20 °C 2: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane; water / 60 °C / Inert atmosphere; Sealed tube |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In dichloromethane; ethyl acetate at 20℃; | tert-butyl 2-(6-bromo-5-fluoropyridine-3-carbonyl)hydrazine-1-carboxylate T3P (50% in ethyl acetate) (19.7 ml_ of a 50% solution in EtOAc, 33.1 mmol) was added dropwise to a stirred solution of 6-bromo-5-fluoropyridine-3-carboxylic acid (4.9 g, 22.0 mmol), tert-butyl hydrazinecarboxylate (3.5 g, 26.5 mmol) and triethylamine (7.7 ml_, 55.1 mmol) dissolved in DCM (200 ml_). After the addition was complete the mixture was stirred at RT overnight. The following day crude NMR showed conversion to the desired product. The organcis were washed with water (3 x 50 ml_) and the product precipitated as a white solid. This was filtered and dried giving the desired product (5.04 g, 68% yield) as a white solid. This was used in the next step without any further purification. (2193) 1 H NMR (250 MHz, DMSO-d6) d 10.63 (s, 1 H), 9.09 (s, 1 H), 8.72 (s, 1 H), 8.23 (dd, J = 8.6, 1.8 Hz, 1 H), 1.42 (s, 9H). (2194) LC-MS (Method 3): Rt = 0.98 min; MS (ESIpos): m/z = 334 [M+H]+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate / water; 1,4-dioxane / 8 h / 90 °C / Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / methanol / 5 h / 20 °C / Inert atmosphere |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate / water; 1,4-dioxane / 8 h / 90 °C / Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / methanol / 5 h / 20 °C / Inert atmosphere 3: HATU; ammonium chloride; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 5 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 4 steps 1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate / water; 1,4-dioxane / 8 h / 90 °C / Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / methanol / 5 h / 20 °C / Inert atmosphere 3: HATU; ammonium chloride; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 5 h / 20 °C 4: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 2 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 5 steps 1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate / water; 1,4-dioxane / 8 h / 90 °C / Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / methanol / 5 h / 20 °C / Inert atmosphere 3: HATU; ammonium chloride; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 5 h / 20 °C 4: triethylamine; trifluoroacetic anhydride / tetrahydrofuran / 2 h / 20 °C 5: nickel(II) chloride hexahydrate; sodium tetrahydroborate; methanol / methanol |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
452.4 mg | With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 90℃; for 8h; Inert atmosphere; | 1 Step 1: 6-(4,4-difluorocyclohex-1-en-1-yl)-5-fluoronicotinic acid 6-Bromo-5-fluoropyridine-3-carboxylic acid (500.0 mg, 2.2 mmol, 1.0 equiv.) was dissolved in 1,4-dioxane (10 mL) and water (1 mL), then Cs2CO3 (1.5 g, 4.5 mmol, 2.0 equiv.), Pd(dppf)Cl2 (166.3 mg, 0.2 mmol, 0.1 equiv.) and 2-(4,4-difluorocyclohex-1-en-1-yl)- 4,4,5,5-tetramethyl-1,3,2-dioxaborolane (832.1 mg, 3.4 mmol, 1.5 equiv.) were added under an atmosphere of nitrogen. The reaction mixture was heated to 90 °C for 8 hours, then cooled to ambient temperature and concentrated under vacuum. The residue was diluted with water and then washed with ethyl acetate. The aqueous layer was adjusted to pH 1 with aqueous HCl (2 M). The solids were collected by filtration and dried to give 6-(4,4-difluorocyclohex- 1-en-1-yl)-5-fluoronicotinic acid (452.4 mg) as a white solid. LCMS Method CB: [M-H]- = 256. |