ChemicalBook--->CAS DataBase List--->31161-46-3

31161-46-3

31161-46-3 Structure

31161-46-3 Structure
IdentificationMore
[Name]

2-BROMO-5-BENZOYLTHIOPHENE
[CAS]

31161-46-3
[Synonyms]

2-BENZOYL-5-BROMOTHIOPHENE
2-BROMO-5-BENZOYLTHIOPHENE
(5-BROMOTHIEN-2-YL)(PHENYL)METHANONE
2-BROMO-5-BENZOYLTHIOPHENE 98.0%MIN
2-Bromo-5-benzoylthiophene ,98%
[EINECS(EC#)]

608-584-4
[Molecular Formula]

C11H7BrOS
[MDL Number]

MFCD03086026
[Molecular Weight]

267.14
[MOL File]

31161-46-3.mol
Chemical PropertiesBack Directory
[Melting point ]

45-46 °C
[Boiling point ]

361.7±27.0 °C(Predicted)
[density ]

1.542±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

powder to crystal
[color ]

White to Yellow to Green
[Detection Methods]

HPLC,NMR
[CAS DataBase Reference]

31161-46-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

22-26-36/37/39
[REACH Registrations]

Active
[HS Code ]

29309090
Hazard InformationBack Directory
[Chemical Properties]

Yellow to brown powder
[Synthesis]

2-Bromothiophene

1003-09-4

Benzoyl chloride

98-88-4

2-BROMO-5-BENZOYLTHIOPHENE

31161-46-3

Aluminum chloride (5.34 g, 40.0 mmol) was added batchwise to a solution of carbon disulfide (120 mL) containing benzoyl chloride (2.81 g, 20.0 mmol) and 2-bromothiophene (3.42 g, 21.0 mmol) over a period of 10 minutes under vigorous stirring. The reaction mixture was continued to be magnetically stirred for 2.5 hours at room temperature. Upon completion of the reaction, the reaction was quenched with 100 mL of aqueous 1 M hydrochloric acid. The organic phase was separated and the aqueous phase was extracted with carbon disulfide (3 x 50 mL). The organic phases were combined and washed with water (3 x 100 mL) and subsequently dried with anhydrous magnesium sulfate. After filtration, the organic phase was concentrated under reduced pressure and the residue was purified by silica gel column chromatography (eluent: hexane/ether=9:1) to give 5.14 g (96% yield) of a yellow crystalline product with a melting point of 41-43°C. The product was purified by 1H NMR (1H NMR) with a melting point of 1H NMR (1H NMR). The product was characterized by 1H NMR (CDCl3): δ 7.84 (d, 2H, 3J=8.0 Hz), 7.62 (t, 1H, 3J=7.2 Hz), 7.52 (t, 2H, 3J=7.5 Hz), 7.40 (d, 2H, 3J=3.5 Hz), 7.15 (d, 2H, 3J=4.0 Hz).

[References]

[1] Journal of the American Chemical Society, 2005, vol. 127, # 39, p. 13476 - 13477
[2] Patent: WO2007/50049, 2007, A1. Location in patent: Page/Page column 27-29
[3] Patent: US5650522, 1997, A
[4] Recueil des Travaux Chimiques des Pays-Bas, 1949, vol. 68, p. 5,29
[5] Journal of the American Chemical Society, 1953, vol. 75, p. 1115
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