5-Bromo-1,3-difluoro-2-nitrobenzene
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5-Bromo-1,3-difluoro-2-nitrobenzene
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CAS No:
147808-42-2
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Formula:
C6H2BrF2NO2
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Chemical Name:
5-Bromo-1,3-difluoro-2-nitrobenzene
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Synonyms:
5-bromo-1,3-difluoro-2-nitrobenzene;1-Bromo-3,5-difluoro-4-nitrobenzene;5-Bromo-1,3-difluoro-2-nitrobenzene, 4-Bromo-2,6-difluoronitrobenzene;4-BroMo-2,6-difluoronitrobenzene
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-1,3-difluoro-2-nitrobenzene Use and Manufacturing
To a suspension of sodium perborate tetrahydrate (1.78 mmol, 0.27 g) in 10 ml of acetic acid stirred at 65Sodiumperborate tetrahydrate (18.5 g, 0.12 mol, 5.0 eq) was suspended in glacial acetic acid (125 mL) and heated to 65 °C. 4-Bromo-2, 6-difluoroanilline 2 (5.0 g, 24.0 mmol, 1.0 eq) dissolved in glacial acetic acid (50 mL) was added slowly through an funnel over 4 h. After the addition the reaction mixture was heated for 3 h additional hours before a second portion of NaBOCompound 121 : 4-(9-Cyclopentyl-7, 7-difluoro-5-methyl-6-oxo-6, 7, 8, 9- tetrahydro-5H-pyrimido[4, 5-b][l, 4]diazepin-2-ylamino)-3-fluoro-5-methoxybenzoic acid; [0581] 5-Bromo-l, 3-difluoro-2-nitrobenzene: To a mixture of acetic acid (30 mL), 30percent HEXAMPLE 21; Preparation of Methyl [(2S)- 1 - {(25}-2-[5-(5- {2-[(25)- 1 - { (2.pound.)-2-[(methoxycarbonyl)amino]-3 - methyl butanoyl}pyrrolidin-2-yl]-lH-imidazol-5-yl}- l , 2-dihydro[l , 4]oxazino[2, 3, 4-W] phenoxazin- 10-yl)-lH-imidazol-2-yl]pyrrolidin- 1 -yl } -3-methyl- 1 -oxobutan-2-yl] carbamate(Compound 13); Step A - Synthesis of Compound Int-21a; To a solution of compound 4-bromo-2, 6-difluoroaniIine (20 g, 0.1 mol) in acetic acid (120 mL) was added 30percent ΗSynthesis of Compound Int-21aInt 21aTo a solution of compound 4-bromo-2, 6-difluoroaniline (20 g, 0.1 mol) in acetic acid (120 mL) was added 30percent HDissolve 24.0 g of intermediate M1-1 and 41.5 g of M8-5 in 600 ml of dry DMF.Add 6.0 g of NaH and stir at 110 C for 10 h under a nitrogen atmosphere.After cooling, the filtrate was filtered, DMF was distilled off under reduced pressure, and the remaining concentrated solution was subjected to column chromatography to obtain intermediate M8-1 with a yield of 78%.MS (ASAP): 561.15.24.0 g of intermediate M1-1 and 74.0 g of 1-iodocarbazole were dissolved in 600 ml of dried DMF.Add 10.0 g of NaH and stir at 140 C for 12 h under a nitrogen atmosphere.After cooling, the filtrate was filtered, DMF was distilled off under reduced pressure, and the remaining concentrated solution was subjected to column chromatography to obtain intermediate M1-2.Yield: 70%. MS (ASAP): 784.19.Scheme 3, Step 1 A 20 mL Biotage microwave vial loaded with
Computed Properties
Molecular Weight:237.99
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Exact Mass:236.92370
Monoisotopic Mass:236.92370
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-1,3-difluoro-2-nitrobenzene
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