3-ISOCHROMANONE Chemical Properties

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 Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

3

HS Code 

2932990090

MSDS

• Language:English Provider:SigmaAldrich

3-ISOCHROMANONE Usage And Synthesis

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.

3-ISOCHROMANONE(4385-35-7)Related Product Information

• 3-ISOCHROMANONE
• HOMOPHTHALIC ANHYDRIDE
• 3,4-Dehydro-1-isochromanone
• 1-Isochromanone
• 8-Methoxy-4-isochromanone
• Isochromanone
• 6-Bromo-4-isochromanone
• 7-Methoxy-4-isochromanone
• Isochroman
• 6,7-DIMETHOXY-3-ISOCHROMANONE
• 8-HYDROXY-1-ISOCHROMANONE
• 4-[(E)-3-PHENYL-PROP-2-EN-(E)-YLIDENE]-ISOCHROMAN-1,3-DIONE
• AKOS AU36-M281
• AKOS AU36-M268
• 1H-ISOCHROMENE-1,3,4-TRIONE 4-(N-[3-(TRIFLUOROMETHYL)PHENYL]HYDRAZONE)
• 1H-ISOCHROMENE-1,3,4-TRIONE 4-[N-(3-NITROPHENYL)HYDRAZONE]
• 1H-ISOCHROMENE-1,3,4-TRIONE 4-(N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]HYDRAZONE)
• 1H-2-BENZOPYRAN-1,3,4-TRIONE 4-[N-(4-METHOXYPHENYL)HYDRAZONE]