| Identification | More | [Name]
5-Bromoindanone | [CAS]
34598-49-7 | [Synonyms]
5-BROMO-1-INDANONE
5-BROMO-2,3-DIHYDRO-1H-INDEN-1-ONE
5-BROMOINDAN-1-ONE
5-BROMOINDANONE
BUTTPARK 145\15-97
1-Indanone, 5-bromo-
5-Bromo-1-indanone,98%
5-Bromo-1-indanone 98%
5-bromo-2,3-dihydroinden-1-one | [EINECS(EC#)]
629-357-6 | [Molecular Formula]
C9H7BrO | [MDL Number]
MFCD00082718 | [Molecular Weight]
211.06 | [MOL File]
34598-49-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
126-129 °C(lit.)
| [Boiling point ]
303.7±31.0 °C(Predicted) | [density ]
1.18 g/mL at 25 °C(lit.) | [refractive index ]
1.5720 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Powder | [color ]
Beige to brown | [biological source]
rabbit | [BRN ]
2357199 | [InChI]
InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2 | [InChIKey]
KSONICAHAPRCMV-UHFFFAOYSA-N | [SMILES]
C1(=O)C2=C(C=C(Br)C=C2)CC1 | [CAS DataBase Reference]
34598-49-7(CAS DataBase Reference) | [NIST Chemistry Reference]
1H-inden-1-one, 5-bromo-2,3-dihydro-(34598-49-7) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HazardClass ]
IRRITANT | [HS Code ]
29147000 |
| Hazard Information | Back Directory | [Description]
5-Bromo-1-indanone(34598-49-7) is a 1-indanone derivative. Its physical properties like density, freezing point and refractive index have been determined. It participates in the synthesis of the imidazolyl and triazolyl substituted biphenyl compounds.
| [Chemical Properties]
white to light yellow crystal powder | [Uses]
Starter for indanone-based pharmaceuticals1,2 | [Application]
5-Bromo-1-indanone(34598-49-7) is a pharmaceutical intermediate compound that is a raw material for the preparation of indanone-based pharmaceuticals. It is also used as a chemical reagent for the preparation of other indanones such as 2,3,5 tribromoindanone by bromination[1].
| [General Description]
5-Bromo-1-indanone(34598-49-7) is a 1-indanone derivative. Its physical properties like density, freezing point and refractive index have been determined. It participates in the synthesis of the imidazolyl and triazolyl substituted biphenyl compounds.
| [Synthesis]
GENERAL STEPS: Be safe. Tert-butyl hydroperoxide (TBHP) is highly reactive, flammable and toxic, corrosive to skin and mucous membranes, and may cause respiratory distress by inhalation. A solution of 5-bromo-2,3-dihydro-1H-inden-1-ol (1 mmol) with 70% TBHP (6 or 10 equiv.) is reacted with stirring at 100°C for 24 hours. Upon completion of the reaction, the reaction mixture was quenched with saturated sodium thiosulfate solution (5 mL) and subsequently extracted with dichloromethane (3 x 10 mL). The combined dichloromethane extracts were dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to remove the solvent. The residue was purified by rapid column chromatography on silica gel, and petroleum ether (PE) or mixed solvent of petroleum ether/ethyl acetate (PE/EtOAc) was selected as eluent to finally obtain 5-bromoindanone. | [References]
[1] TUTAR A, YILMAZ M, ERENLER R. Bromination of 4-bromoindanone and 5-bromoindanone[C]. 2013. DOI:10.5151/CHEMPRO-15BMOS-BMOS2013\_20131023104831. |
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