3-Isochromanone

CAS NO.：4385-35-7
Empirical Formula: C9H8O2
Molecular Weight: 148.16
MDL number: MFCD00043005
EINECS: 224-493-9
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-25 20:05:57

What is 3-Isochromanone?

Chemical properties

Lamellae

The Uses of 3-Isochromanone

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.

Properties of 3-Isochromanone

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
CAS DataBase Reference	4385-35-7(CAS DataBase Reference)

Safety information for 3-Isochromanone

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.