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[ CAS No. 887585-64-0 ]

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Chemical Structure| 887585-64-0
Chemical Structure| 887585-64-0
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Product Details of [ 887585-64-0 ]

CAS No. :887585-64-0 MDL No. :MFCD04972472
Formula : C7H3BrF2O2 Boiling Point : 294.3±40.0°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :237.00 g/mol Pubchem ID :-
Synonyms :

Safety of [ 887585-64-0 ]

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

Application In Synthesis of [ 887585-64-0 ]

  • Downstream synthetic route of [ 887585-64-0 ]

[ 887585-64-0 ] Synthesis Path-Downstream   1~17

  • 1
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  • [ 1600511-63-4 ]
  • 2
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  • [ 1600511-64-5 ]
  • 3
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  • [ 1600511-65-6 ]
  • 4
  • [ 79-37-8 ]
  • [ 887585-64-0 ]
  • [ 6638-79-5 ]
  • [ 1600511-62-3 ]
YieldReaction ConditionsOperation in experiment
100% With dmap; triethanolamine; Step 1: 5-Bromo-2,3-difluoro-N-methoxy-N-methylbenzamide To a solution of <strong>[887585-64-0]5-bromo-2,3-difluorobenzoic acid</strong> (5.00 g, 21.10 mmol) in DCM (68 mL) and DMF (0.686 mL, 8.86 mmol), cooled to 0 C., was added oxalyl chloride (5.54 mL, 63.3 mmol) dropwise via syringe, and the reaction mixture was stirred at 0 C. for 15 minutes then warmed to 18 C. and stirred for 1 hour. The reaction mixture was concentrated, and the residue was dissolved in DCM (58 mL). To this solution was added N,O-dimethyl hydroxylamine HCl (4.12 g, 42.2 mmol). The mixture was cooled to 0 C., and TEA (14.70 mL, 105 mmol) and 4-dimethylaminopyridine (0.103 g, 0.844 mmol) were added. The reaction was stirred for 1.5 hours at 0 C., and then quenched with 1 N aq. HCl (20 mL) at 0 C. The mixture was diluted with DCM, washed with water and brine, dried over anhydrous sodium sulfate, filtered, and concentrated to yield the title intermediate (5.91 g, 21.10 mmol, 100% yield) as a light orange crystalline solid. LC/MS (ESI+) m/z=280, 282 (M+H; 2 bromine isotopes).
  • 5
  • [ 110-96-3 ]
  • [ 887585-64-0 ]
  • 5-bromo-2-(diisobutylamine)-3-fluorobenzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
In 1-methyl-pyrrolidin-2-one; at 145℃; for 17h; 5A. 5 -Bromo-2-(diisobutylamine)-3 -fluorobenzoic acid A solution of <strong>[887585-64-0]5-bromo-2,3-difluorobenzoic acid</strong> (0.75 g, 3.16 mmol) inNMP (Volume: 0.4 mL) was treated with diisobutylamine (1.636 g, 12.66 mmol) and heated to 145 C for 17h. Chromatography on silica gel (gradient elution with EtOAc-hexanes5 1%HOAc) afforded 0.22g (20%) of 5-bromo-2-(diisobutylamine)-3-fluorobenzoic acid asan off-white solid plus some mixed fractions. Concentration and silica gelchromatography on the mixed fractions afforded a further 0.3g of material. MS(ES): m/z= 348 [M+H]. ‘H NMR (400 MHz, DMSO-d6) ö ppm 14.5 1(br.s, 1 H); 7.69(dd, 1 H, J= 11.9, 2.4 Hz); 7.61(br. s, 1H); 2.88(d, 4H, J = 6.6 Hz); 1.65-1.77(m, 2H); 0.82(d, 12H, J= 6.6 Hz).
  • 6
  • [ 887585-64-0 ]
  • 4-bromo-6-fluoro-N1,N1-diisobutylbenzene-1,2-diamine [ No CAS ]
  • 7
  • [ 887585-64-0 ]
  • 1-(5-bromo-2-(diisobutylamino)-3-fluorophenyl)-3-p-tolylurea [ No CAS ]
  • 8
  • [ 887585-64-0 ]
  • 1-(4-(diisobutylamino)-5-fluoro-2'-(1H-tetrazol-5-yl)biphenyl-3-yl)-3-p-tolylurea [ No CAS ]
  • 9
  • [ 887585-64-0 ]
  • C19H30BrFN2O2 [ No CAS ]
  • 10
  • [ 4519-39-5 ]
  • [ 887585-64-0 ]
YieldReaction ConditionsOperation in experiment
2% With N-Bromosuccinimide; sulfuric acid; at 60℃; for 3h;Inert atmosphere; To 2,3-difluorobenzoic acid (7.0 g) was added concentrated H2S04 (35.9 ml) and N-bromosuccinimide (8.26 g). The reaction mixture was heated with stirring at sixty degrees Celsius for three hours under argon. Reaction was then allowed to cool to room temperature and poured onto ice water. This mixture was allowed to stir at room temperature for five minutes, and then filtered. The solid was then washed with room temperature water. The solid was then dissolved in ethyl acetate and extracted with 3M sodium hydroxide (x2). The ethyl acetate layer can then be discarded, and the aqueous layer was then acidified with 3M HC1. The aqueous layer was extracted with ethyl acetate (x2). The combined extracts were washed with water, brine, dried over Na2S04 and concentrated to obtain (0314) 5-bromo-2,3-difluorobenzoic acid (8.6 g, 82% yield). 1H NMR (300 MHz, CDC13) d 7.96 (ddd, J= 5.5, 2.6, 2.1 1H), 7.61 (ddd, J= 9.0, 6.4, 2.6 1H). 19F NMR (282 MHz, CDC13) d -132.54 (ddd, J= 20.1, 9.0, 2.1 IF), -134.56 (ddd, J= 20.1, 6.41, 5.5 IF).
  • 11
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  • benzyl (R)-2-(benzyloxy)-4-(1-((3-cyano-4,5-difluorophenyl)sulfonyl)-N-((5-cyclohexylpyrazin-2-yl)methyl)azetidine-2-carboxamido)benzoate [ No CAS ]
  • 12
  • [ 887585-64-0 ]
  • (R)-4-(1-((3-cyano-4,5-difluorophenyl)sulfonyl)-N-((5-cyclohexylpyrazin-2-yl)methyl)azetidine-2-carboxamido)-2-hydroxybenzoic acid [ No CAS ]
  • 13
  • [ 887585-64-0 ]
  • (R)-1-((3-cyano-4,5-difluorophenyl)sulfonyl)-N-((5-cyclohexylpyrazin-2-yl)methyl)-N-(pyridin-3-yl)azetidine-2-carboxamide [ No CAS ]
  • 14
  • [ 887585-64-0 ]
  • (R)-1-((3-cyano-4,5-difluorophenyl)sulfonyl)-N-((5-cyclohexylpyridin-2-yl)methyl)-N-(2-(hydroxymethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)azetidine-2-carboxamide [ No CAS ]
  • 15
  • [ 887585-64-0 ]
  • (R)-1-((3-cyano-4,5-difluorophenyl)sulfonyl)-N-((5-cyclohexylpyridin-2-yl)methyl)-N-(4-oxo-3,4-dihydroquinazolin-7-yl)azetidine-2-carboxamide [ No CAS ]
  • 16
  • [ 887585-64-0 ]
  • (R)-1-((3-cyano-4,5-difluorophenyl)sulfonyl)-N-((5-cyclohexylpyridin-2-yl)methyl)-N-(1-oxo-1,2-dihydroisoquinolin-6-yl)azetidine-2-carboxamide [ No CAS ]
  • (R)-1-((3-cyano-5-fluoro-4-(isopropylamino)phenyl)sulfonyl)-N-((5-cyclohexylpyridin-2-yl)methyl)-N-(1-oxo-1,2-dihydroisoquinolin-6-yl)azetidine-2-carboxamide [ No CAS ]
  • 17
  • [ 887585-64-0 ]
  • benzyl 1-((3-cyano-4,5-difluorophenyl)sulfonyl)-1H-pyrrole-2-carboxylate [ No CAS ]
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