3-BROMO-4-METHYL BENZALDEHYDE
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3-BROMO-4-METHYL BENZALDEHYDE
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CAS No:
36276-24-1
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Formula:
C8H7BrO
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Chemical Name:
3-BROMO-4-METHYL BENZALDEHYDE
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Synonyms:
benzaldehyde, 3-bromo-4-methyl-;3-bromo-4-methyl Benzalehyde;3-bromo-4-methylbenzaldehyde(SALTDATA: FREE);3-Bromo-p-tolualdehyde;3-Bromo-4-methylbenzaldehyde 97%
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CAS No:
Safety Information
IRRITANT
NONH for all modes of transport
3
22-36/37/38-43
26-36/37
Xn
P261-P280-P305 + P351 + P338
H302-H315-H317-H319-H335
|Warning|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-BROMO-4-METHYL BENZALDEHYDE Use and Manufacturing
To a solution of the benzyl alcohol intermediate (4.5 g, 22.4 mmol) in chloroform (100 mL) was added manganese dioxide (15 g, 172 mmol). The reaction was refluxed with stirring in an oil bath at 70 °C for 18 h. Then it was filtered through celite and solvents were removed in vacuo to give a crude product that was purified by column chromatography (150 mL Si0To a stirred solution of 4-methylbenzaldehyde (20.0 g, 166.5 mmol) in DCM (150 mL)at 0 00 AId3 (26.5 g, 198.7 mmol) was added portion wise. It was then heated at 4000 for 30 mm. , Br2 (31.9 g, 199.6 mmol) in DCM (50 mL) was then added to thereaction mixture drop wise at 0 00 and stirred at room temperature over night. The reaction mixture was diluted with ice water and extracted with DCM. The organic layer was washed with water and brine solution dried over anhydrous Na2SO4 and concentrated under vacuo. The crude product was purified by columnchromatography to yield the title compound (20 g, 60.36percent) as yellow oil.To a stirred solution of 4-methylbenzaldehyde (20.0 g, 166.5 mmcl) in DCM (150 mL)at 000 AICI3 (26.5 g, 198.7 mmol) was added portion wise. It was heated at 40°C for30 mm, then Br2 (31.9 g, 199.6 mmol) in DCM (50 mL) was added drop wise at 000 and stirred at room temperature over night. The reaction mixture was diluted with ice water and extracted with DCM. The organic layer was washed with water and brine solution dried over anhydrous Na2SO4 and concentrated under vacuo. The crudeproduct was purified by column chromatography to yield the title compound (20 g, 60.36percent) as yellow oil.
Computed Properties
Molecular Weight:199.04
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:197.96803
Monoisotopic Mass:197.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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