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3-Isochromanone

ALDRICH/359351 - 98%

CAS Number: 4385-35-7
Empirical Formula (Hill Notation): C9H8O2
Molecular Weight: 148.16
EC Number: 224-493-9
MDL Number: MFCD00043005
Linear Formula: C9H8O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-359351-1G 1 g
 $64.60
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 359351-1G

 

assay 98%
functional group ester
InChI 1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChI key ILHLUZUMRJQEAH-UHFFFAOYSA-N
mp 80-82 °C (lit.)
Quality Level 200 
SMILES string O=C1Cc2ccccc2CO1
Application: 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).
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.
Packaging: 1 g in glass bottle
Purity 98%
mp 80-82 °C (lit.)
UNSPSC 12352100

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