2-Bromo-5-phenylthiophene
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2-Bromo-5-phenylthiophene
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CAS No:
29488-24-2
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Formula:
C10H7BrS
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Chemical Name:
2-Bromo-5-phenylthiophene
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Synonyms:
Thiophene,2-bromo-5-phenyl-;2-Bromo-5-phenylthiophene;5-Bromo-2-phenylthiophene;2-Phenyl-5-bromothiophene
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CAS No:
Safety Information
2811
20/21/22-36/37/38-41-25
22-26-36/37/39-45-39
T
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-Bromo-5-phenylthiophene Use and Manufacturing
The compoundA (1.5 g, 9.4 mmol) was completely dissolved in chloroform (100 mL), and then N-bromosuccinimide (1.7 g, 9.4 mmol) was slowly added thereto, followed by stirring at room temperature for 30 min. The solvent was completely removed by distillation under reduced pressure, and then ethanol was added thereto at OSynthesis of Compound 111To a solution of Compound 110 (5.00 g, 31.2 mmol) in a mixture of chloroform (80 ml) and acetic acid (80 ml) was added N-bromosuccimide (5.60 g, 31.2 mmol) at 0° C. Then the mixture was heated to 60° C. and was stirred for about 1 hour at that temperature. The mixture then was cooled to room temperature and was stirred for about 24 hours. Thereafter, the mixture was quenched with aqueous potassium hydroxide solution and extracted with chloroform. The organic layer was dried over MgSOTo a solution of Compound 110 (5.00 g, 31.2 mmol) in a mixture of chloroform (80 ml) and acetic acid (80 ml) was added N-bromosuccimide (5.60 g, 31.2 mmol) at 0 °C. Then the mixture was heated to 60 °C and was stirred for about 1 hour at that temperature. The mixture then was cooled to room temperature and was stirred for about 24 hours. Thereafter, the mixture was quenched with aqueous potassium hydroxide solution and extracted with chloroform. The organic layer was dried over MgSO4 and concentrated in vacuo. Purification by recrystallization from ethanol afforded Compound 4-11 (3.66 g, 49percent): MS (M+) calculated for C50H29Br2N 238, found 238.
Computed Properties
Molecular Weight:239.13
XLogP3:4.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:237.94518
Monoisotopic Mass:237.94518
Topological Polar Surface Area:28.2
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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