3-Bromo-5-chlorobenzaldehyde
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3-Bromo-5-chlorobenzaldehyde
structure -
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CAS No:
188813-05-0
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Formula:
C7H4BrClO
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Chemical Name:
3-Bromo-5-chlorobenzaldehyde
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Synonyms:
Benzaldehyde,3-bromo-5-chloro-;3-Bromo-5-chlorobenzaldehyde;5-Bromo-3-chlorobenzaldehyde
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CAS No:
Characteristics
17.1
2.7
1.698±0.06 g/cm3(Predicted)
68-73 °C
264.0±20.0 °C(Predicted)
113.5±21.8 °C
1.623
Safety Information
UN30779/PG3
3
36/37/38-51/53-22
26-36/37/39-61-53
Xn,N
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
3-Bromo-5-chlorobenzaldehyde Use and Manufacturing
3, 5-di-bromo-chlorobenzene (27 g, 100 mmol) was dissolved in anhydrous isopropyl ether (300.0 mL) in a dried flask under nitrogen. The reaction mixture wascooled to -78 °C and stirred under nitrogen atmosphere. A 2.6M solution of n-BuLi in hexanes (40 mL, 100 mmol) was added dropwise to the above solution and the reaction mixture was stirred at -78 °C for 30 min after complete addition of n-BuLi. After 30 min of stirring at -78 °C, DMF (7.5 g, 100 mmol) was added to above reaction mixture dropwise, keeping the reaction mixture below -78 °C. The reaction mixture was added 80 mL of NH4C1 and the reaction mixture was stirred for 15 min. The ether layer was separated, washed with water (2 x 250 mL), dried over anhydrous NaSO4, filtered and evaporated in vacuo, The product was purified by silica-gel flash chromatography to give the desired product (16 g, 67percent).A mixture of To a solution of substituted benzaldehyde (2.28 mmol) and (R)-(+)-2-methyl-2- propanesulfmamide (248 mg, 2.05 mmol) in THF (7.5 mL) was added Titanium(IV) ethoxide (0.95 mL, 4.56 mmol). The reaction mixture was stirred at room temperature overnight. Quench with brine, filter over a pad of Celite, wash through with ethyl acetate (100 mL). Dry filtrate with sodium sulfate, filter and concentrate to yield crude sulfmimine.
Computed Properties
Molecular Weight:219.46
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:217.91341
Monoisotopic Mass:217.91341
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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