| Identification | More | [Name]
1-Benzosuberone | [CAS]
826-73-3 | [Synonyms]
1-BENZOSUBERONE
6,7,8,9-TETRAHYDRO-5-BENZOCYCLOHEPTENONE
6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-ONE
BENZOSUBERONE
1-Benzosuberanone
2,3-Benzosuberone
5-Benzocycloheptanone
5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-
6,7,8,9-Tetrahydro-5H-benzo[a]cyclohepten-5-one
6,7,8,9-Tetrahydrobenzobicyclohepten-5-one
6,7,8,9-tetrahydro-benzocyclohepten-5-one
6,7,8,9-Tetrahydrobenzocyclohepten-5-one
alpha-Benzosuberone
Benzo(b)cycloheptan-1-one
Benzsuberone
1-BENZOSUBERONE/6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-ONE
6,7,8 9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-ONE 95+%
BENZOSUBERONE :6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-ONE
1-Benzocycloheptanone
-6,7,8,9-Tetrahydro-5H-benzocycloheptene-5-one | [EINECS(EC#)]
212-558-4 | [Molecular Formula]
C11H12O | [MDL Number]
MFCD00004144 | [Molecular Weight]
160.21 | [MOL File]
826-73-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
202 °C | [Boiling point ]
270 °C (lit.) | [density ]
1.071 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.564(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Light orange to Yellow | [BRN ]
636823 | [InChI]
InChI=1S/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2 | [InChIKey]
KWHUHTFXMNQHAA-UHFFFAOYSA-N | [SMILES]
C12=CC=CC=C1CCCCC2=O | [CAS DataBase Reference]
826-73-3(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Benzosuberone(826-73-3) |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow liquid | [Uses]
1-Benzosuberone is used in the synthesis of novel benzosuberone bearing coumarin moieties as potential anticancer agents. | [Synthesis]
Add 332.3g of δ-pentolactone and 2.33L of benzene into a 5L three-necked flask equipped with a thermometer, mechanical stirring, reflux tube and exhaust gas receiving device, turn on the stirring, add 1.77kg of anhydrous aluminum trichloride in batches at | [Purification Methods]
Purify it by dissolving in toluene, washing with aqueous 5% NaOH, then brine, drying (MgSO4), and distilling. The 2,4-dinitrophenylhydrazone has m 210.5o, 207-208o (from CHCl3/MeOH). The Z-O-Picryloxime has m 156-157o (from Me2CO/MeOH), the E-O-picryloxime has m 107o. The oxime has m 106.5-107.5o. [UV: Gilmore & Horton J Am Chem Soc 73 1411 1951, Hedden & Brown J Am Chem Soc 75 3744 1953, Huisgen et al. Chem Ber 90 1844 1957, Beilstein 7 IV 1029.] |
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