ChemicalBook Product Catalog Chemical Reagents Organic reagents Aromatic ketones 5-Bromo-1-indanone

5-Bromo-1-indanone

Product Name5-Bromo-1-indanone
CAS34598-49-7
MFC9H7BrO
MW211.06
EINECS629-357-6
MOL File34598-49-7.mol

Chemical Properties

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 Information

Hazard Codes	Xn,Xi
Risk Statements	20/21/22-36/37/38-22
Safety Statements	26-36-36/37/39
WGK Germany	3
Hazard Note	Harmful
HazardClass	IRRITANT
HS Code	29147000
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Description

5-Bromo-1-indanone 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 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

Synthesis

34598-50-0

34598-49-7

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.

5-Bromo-1-indanone

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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