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[ CAS No. 40155-34-8 ]

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Chemical Structure| 40155-34-8
Chemical Structure| 40155-34-8
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Product Details of [ 40155-34-8 ]

CAS No. :40155-34-8 MDL No. :MFCD14155890
Formula : C6H5BrN2O2 Boiling Point : 268.6°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :217.02 g/mol Pubchem ID :52988070
Synonyms :

Safety of [ 40155-34-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 40155-34-8 ]

  • Downstream synthetic route of [ 40155-34-8 ]

[ 40155-34-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 79762-54-2 ]
  • [ 40155-34-8 ]
  • methyl 6-(6-bromo-1 H-indazol-1-yl)pyrazine-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% With potassium phosphate; trans-N,N'-dimethylcyclohexane-1,2-diamine; copper(I) bromide; In toluene; at 110℃; for 16h; The preparation of methyl 6-(6-bromo-lH-indazol-l-yl)pyrazine-2-carboxylate was similar to that of (6-(4-bromo-6-((4-methoxybenzyl)oxy)- lH-indazol- l-yl)pyridin-2-yl)methanol (Example 352, Step 4) to give 1.1 g as a yellow solid, Y: 36%. ESI-MS (M+H)+: 333.0. 1H NMR (400 MHz, CDC13) delta: 9.61 (s, 1H), 9.21 (s, 1H), 9.17 (s, 1H), 8.28 (s, 1H), 7.71 (d, J = 8.4 Hz, 1H), 7.52 (dd, J = 8.4, 1.2 Hz, 1H), 4.15 (s, 3H).
36% With potassium phosphate; copper(l) iodide; cis-N,N'-dimethyl-1,2-diaminocyclohexane; In toluene; at 110℃; for 16h; A mixture of <strong>[79762-54-2]6-bromo-1H-indazole</strong> (79762-54-2) (3.2 g, 16.3 mmol, 1.0 eq), (6-bromopyridin-2-yl)methanol (33674-96-3) (3.66 g, 19.6 mmol, 1.2 eq), CuT (620 mg, 3.26 mmol,0.2 eq), K3P04 (6.9 g, 32.6 mmol, 2.0 eq) and N,N?-Dimethyl-cyclohexane-1,2-diamine (61798-24-1) (930 mg, 6.52 mmol, 0.4 eq) in 1,4-dioxane (50 mL) was stirred at 110C for 16 h. After concentration, the residue was purified by silica gel chromatography using PE/EA (3/1) as eluent to give (6-(6-bromo-1H-indazol-1-yl)pyridin-2-yl)methanol;_The preparation of methyl 6-(6-bromo- 1 H-indazol- 1 -yl)pyrazine-2-carboxylate was similar to that of (6-(6-bromo-1H-indazol-1-yl)pyridin-2-yl)methanol (Example 1, Step 7) togive 1.1 g as a yellow solid, Y: 36%. ESI-MS (M+H): 333.0. ?H NMR (400 MHz, CDC13) (5:9.61 (s, 1H), 9.21 (s, 1H), 9.17 (s, 1H), 8.28 (s, 1H), 7.71 (d, J= 8.4 Hz, 1H), 7.52 (dd, J= 8.4,1.2 Hz, 1H), 4.15 (s, 3H).
  • 2
  • [ 1361110-63-5 ]
  • [ 40155-34-8 ]
  • 6-(3-chloro-4-morpholinophenyl)pyrazine-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
29% With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In 1,4-dioxane; water; for 3.0h;Reflux; A mixture of <strong>[1361110-63-5]4-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine</strong> (CAS Number; 1361110-63-5; 3.73 g, 11.5 mmol), methyl 6-bromopyrazine-2-carboxylate (2.5 g, 11.5 mmol) bis(triphenylphosphine)palladium(II)dichloride (0.4 g, 0.575 mmol), potassium carbonate (4.78 g, 34.6 mmol) in water (20 mL) and 1,4-dioxane (60 mL) was heated at reflux for 3 h. The solvent was removed by evaporation to give a brown precipitate. To this was added 2M sodium hydroxide (100 mL) and the mixture was stirred at rt for 10 min then then washed with DCM. The aqueous phase was acidified to pH 5 with precipitation then was extracted with DCM. The organic phase was dried and evaporated to give 6-(3-chloro-4-morpholino-phenyl)pyrazine-2-carboxylic acid (1.07 g, 29%) as a brown solid. m/z ES+ [M+H]+ 320; 1H NMR (400 MHz, DMSO-d6) d 13.84 (s, 1H), 9.46 (s, 1H), 9.10 (s, 1H), 8.46- 8.03 (m, 2H), 7.31 (d, J = 8.5 Hz, 1H), 3.91- 3.61 (m, 4H), 3.25- 2.96 (m, 4H), 2.96- 2.73 (m, 1H), 1.07 (s, 2H)
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