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1140-17-6

1140-17-6 Structure

1140-17-6 Structure
IdentificationMore
[Name]

2-AMINO-4'-BROMOBENZOPHENONE
[CAS]

1140-17-6
[Synonyms]

2-AMINO-4'-BROMOBENZOPHENONE
(2-AMINO-PHENYL)-(4-BROMO-PHENYL)-METHANONE
[Molecular Formula]

C13H10BrNO
[MDL Number]

MFCD02181034
[Molecular Weight]

276.13
[MOL File]

1140-17-6.mol
Questions And AnswerBack Directory
[Synthesis]

Synthetic route of 2-amino-4'-bromobenzophenone

At room temperature, 100 mmol of o-aminobenzonitrile, 200 mmol of p-bromophenylboronic acid, 5 mmol of nickel catalyst Ni(dppe)Cl2 and 400 mmol of trifluoroacetic acid were added to an appropriate amount of mixed solvent (a mixture of 1,4-dioxane and water in a volume ratio of 4:1) in a reaction vessel. The mixture was then stirred and heated to 90 °C, and the reaction was carried out at this temperature for 24 hours.

After the reaction was complete, the reaction mixture was first rotary evaporated to dryness. Then, sufficient ethyl acetate was added to dissolve it. Next, a suitable amount of a mixed aqueous solution of saturated sodium bicarbonate and saturated sodium chloride was added for washing. The organic and aqueous layers were separated. The aqueous layer was extracted three times with ethyl acetate. The organic layers (i.e., the organic layer washed with the mixed aqueous solution and the organic layer obtained from the ethyl acetate extraction) were combined, dried over anhydrous sodium sulfate, and distilled under reduced pressure. The residue was eluted by rapid column chromatography (using a mixture of petroleum ether and ethyl acetate in a volume ratio of 1:0.5 as the eluent). The eluent was collected and evaporated to remove the eluent, yielding 2-amino-4'-bromo-benzophenone as a pale yellow solid with a yield of 86.8% and a purity of 94.6%.
[Application]

2-Amino-4'-bromobenzobenzophenone is a Pronac intermediate, an organic synthesis intermediate and a pharmaceutical intermediate, which can be used in laboratory research and development processes and chemical production processes.
Chemical PropertiesBack Directory
[Melting point ]

103-110 °C
[Boiling point ]

432.5±25.0 °C(Predicted)
[density ]

1.484±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

powder to crystal
[pka]

-0.36±0.10(Predicted)
[color ]

Light orange to Yellow to Green
[InChI]

1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
[InChIKey]

WIISOMGJWLLMDG-UHFFFAOYSA-N
[SMILES]

Nc1ccccc1C(=O)c2ccc(Br)cc2
[CAS DataBase Reference]

1140-17-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[HS Code ]

29223990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-4'-bromobenzophenone(1140-17-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1140-17-6(sigmaaldrich)
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