α-Bromocinnamaldehyde
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α-Bromocinnamaldehyde
structure -
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CAS No:
5443-49-2
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Formula:
C9H7BrO
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Chemical Name:
α-Bromocinnamaldehyde
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Synonyms:
2-Propenal,2-bromo-3-phenyl-;Cinnamaldehyde,α-bromo-;2-Bromo-3-phenyl-2-propenal;B 37;Alphabrocine;α-Bromocinnamaldehyde;α-Bromocinnamic aldehyde;2-Bromocinnamaldehyde;B 36;NSC 19806;2-Bromo-3-phenylacrolein;α-Bromocinnamal;2-Bromo-3-phenylacrylaldehyde
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CAS No:
Characteristics
17.07000
2.44
Light yellow to ochre Crystalline Powder
1.5±0.1 g/cm3
70.5 °C
304.4±30.0 °C at 760 mmHg
110.2±11.9 °C
1.627
2-8°C
Safety Information
UN 3335
3
22-36/37/38
26-36/37/39-22
GD6480000
Xn
P261-P305 + P351 + P338
H302-H315-H319-H335
α-Bromocinnamaldehyde Use and Manufacturing
Stir cinnamaldehyde and glacial acetic acid vigorously, add bromine under cooling to react. Then, anhydrous potassium carbonate was added, the reaction was heated to reflux for half an hour, cooled, and the crude product was precipitated. The crude product is dissolved in ethanol and recrystallized to obtain a finished product with a yield of about 80%.
α-Bromocinnamaldehyde was used in the synthesis of 3,4-diaryl 1 H -pyrazoles. 1 It was also used in the preparation of spiro imidazolidine-oxazolidine intermediate via guanidinium ylide mediated aziridination. 2
Computed Properties
Molecular Weight:211.05
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:209.96803
Monoisotopic Mass:209.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:157
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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