| Identification | Back Directory | [Name]
Ethanone, 1-(3-cyclopropylphenyl)- (9CI) | [CAS]
408359-52-4 | [Synonyms]
1-(3-Cyclopropylphenyl) Ethanone, 1-(3-cyclopropylphenyl)- Ethanone, 1-(3-cyclopropylphenyl)- (9CI) | [Molecular Formula]
C11H12O | [MDL Number]
MFCD06802407 | [MOL File]
408359-52-4.mol | [Molecular Weight]
160.21 |
| Chemical Properties | Back Directory | [Boiling point ]
266.4±19.0 °C(Predicted) | [density ]
1.075±0.06 g/cm3(Predicted) | [storage temp. ]
Store at room temperature | [Appearance]
Colorless to light yellow Liquid | [InChI]
InChI=1S/C11H12O/c1-8(12)10-3-2-4-11(7-10)9-5-6-9/h2-4,7,9H,5-6H2,1H3 | [InChIKey]
ORLYTWCECJKJCQ-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=CC(C2CC2)=C1)C |
| Hazard Information | Back Directory | [Synthesis]
GENERAL METHOD: Potassium phosphate (0.75 mmol) and Catalyst IIe (1 mol%) were added to a mixture of toluene (2.0 mL) and water (100 μL) containing 3'-bromoacetophenone (0.25 mmol) and cyclopropylboronic acid (0.5 mmol). The reaction mixture was heated to 100 °C under nitrogen protection, kept for an appropriate time and then cooled to room temperature. The reaction mixture was diluted by adding water (10 mL) and subsequently extracted with ethyl acetate (3 x 15 mL). The organic phases were combined, concentrated by evaporation and purified by silica gel column chromatography to afford the target product 1-(3-cyclopropylphenyl)ethanone. | [References]
[1] Tetrahedron, 2012, vol. 68, # 3, p. 900 - 905 [2] Patent: WO2016/201168, 2016, A1. Location in patent: Paragraph 0703 [3] Patent: WO2017/214505, 2017, A1. Location in patent: Paragraph 000559; 000560 |
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