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359351

3-Isochromanone

98%

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About This Item

Empirical Formula (Hill Notation):
C9H8O2
CAS Number:
4385-35-7
Molecular Weight:
148.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24862071
EC Number:
224-493-9
Beilstein/REAXYS Number:
123692
MDL number:
MFCD00043005
Assay:
98%
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Quality Segment

200

assay

98%

mp

80-82 °C (lit.)

functional group

ester

SMILES string

O=C1Cc2ccccc2CO1

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

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.

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).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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