| Identification | More | [Name]
3-ISOCHROMANONE | [CAS]
4385-35-7 | [Synonyms]
1,4-DIHYDRO-3H-2-BENZOPYRAN-3-ONE
3-ISOCHROMANONE
ISOCHROMAN-3-ONE
3-ISOCHROMANONE 99+%
3,4-Dihydro-1H-2-benzopyran-3-one | [EINECS(EC#)]
224-493-9 | [Molecular Formula]
C9H8O2 | [MDL Number]
MFCD00043005 | [Molecular Weight]
148.16 | [MOL File]
4385-35-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
80-82 °C (lit.) | [Boiling point ]
130 °C / 1mmHg | [density ]
1.196±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly) | [form ]
Solid | [color ]
White to Pale Beige | [BRN ]
123692 | [InChI]
InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2 | [InChIKey]
ILHLUZUMRJQEAH-UHFFFAOYSA-N | [SMILES]
C1(=O)OCC2=CC=CC=C2C1 | [CAS DataBase Reference]
4385-35-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
2932990090 |
| Hazard Information | Back Directory | [Chemical Properties]
Lamellae | [Uses]
3-Isochromanone may be used as starting reagent in the synthesis of of BDPBI (7-bromo-1,4-dihydro-2-phenyl-4,4-bis(4-pyridinylmethyl)2H-isoquinolin-3-one dihydrochloride). | [Synthesis Reference(s)]
Journal of the American Chemical Society, 102, p. 4193, 1980 DOI: 10.1021/ja00532a034
Tetrahedron Letters, 36, p. 8123, 1995 DOI: 10.1016/0040-4039(95)01692-B | [General Description]
3-Isochromanone has been reported to be isolated from the fungus Nigrospora sp. PSU-F12. An improved Knoevenagel condensation of 3-isochromanone with aromatic aldehydes has been achieved by microwave irradiation on solid supports in the presence of various catalysts. Synthesis of 3-isochromanone via Beayer-Villiger rearrangement has been reported. |
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