| Identification | Back Directory | [Name]
1(3H)-Isobenzofuranone,6-methyl-(9CI) | [CAS]
72985-23-0 | [Synonyms]
6-Methyl-3H-2-benzofuran-1-one
6-methyl-3H-2-benzofuran-l-one
1(3H)-Isobenzofuranone,6-methyl
6-methyl-1(3H)-Isobenzofuranone
6-methylisobenzofuran-1(3H)-one
6-methyl-2-benzofuran-1(3H)-one
6-Methylisobenzofuran-1(3H)-one B
1(3H)-Isobenzofuranone,6-methyl-(9CI) | [Molecular Formula]
C9H8O2 | [MDL Number]
MFCD12547299 | [MOL File]
72985-23-0.mol | [Molecular Weight]
148.16 |
| Chemical Properties | Back Directory | [Melting point ]
71-73 °C(Solv: ligroine (8032-32-4)) | [Boiling point ]
332.5±41.0 °C(Predicted) | [density ]
1.211±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature |
| Hazard Information | Back Directory | [Synthesis]
Step 4: Synthesis of 6-methylphthalide
107 g (472 mmol) of 6-(bromomethyl)isobenzofuran-1(3H)-one was dissolved in 50 mL of methanol (dioxane may also be used as a solvent in some experiments). This solution was transferred to a Parr reaction flask containing 40 g (540 mmol) of calcium hydroxide and 2 g of 10% Pd/C. The suspension was subjected to a hydrogenation reaction under 40 psi hydrogen pressure until hydrogen uptake ceased. Upon completion of the reaction, all solids were removed by filtration and the filtrate was concentrated to give 67 g of brown solid product in 96% yield. The product was characterized by 1H NMR (CDCl3, 300 MHz): δ 2.53 (s, 3H), 5.30 (s, 2H), 7.49 (s, 1H), 7.54 (d, 3JHCCH = 7.9 Hz, 1H), 7.47 (d, 3JHCCH = 7.9 Hz, 1H). | [References]
[1] Patent: US2008/277622, 2008, A1
[2] Patent: US2011/251395, 2011, A1. Location in patent: Page/Page column 14
[3] Monatshefte fur Chemie, 1996, vol. 127, # 2, p. 201 - 217 |
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