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Home > Encyclopedia > 5,7-DIMETHOXY-INDAN-1-ONE

5,7-DIMETHOXY-INDAN-1-ONE

5,7-DIMETHOXY-INDAN-1-ONE structure

5,7-DIMETHOXY-INDAN-1-ONE 

structure
  • CAS No:

    880-87-5

  • Formula:

    C11H12O3

  • Chemical Name:

    5,7-DIMETHOXY-INDAN-1-ONE

  • Synonyms:

    5,7-Dimethoxyindan-1-one;5,7-Dimethoxy-indan-1-one;5,7-dimethoxy-1-indanone;5,7-dimethoxy-2,3-dihydro-1H-inden-1-one;5,7-dimethoxy-2,3-dihydroinden-1-one;1H-Inden-1-one, 2,3-dihydro-5,7-dimethoxy-;AMOT0855;SCHEMBL1274286;CTK5F9336;DTXSID30402492

5,7-DIMETHOXY-INDAN-1-ONE Basic Attributes

192.21

192.078644

DTXSID30402492

2914509090

Characteristics

35.5

1.6

1.2±0.1 g/cm3

99-100 °C

352.6°C at 760 mmHg

158.3±14.3 °C

1.550

Safety Information

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

5,7-DIMETHOXY-INDAN-1-ONE Use and Manufacturing

The 3-(3, 5-Dimethoxy-phenyl)-propionic acid ( 2gx5) was dissolved in methanesulfonic acid (10mlx5) in microwave process vial (20mlx5), the mixture was heated at 9OTo a flame dried flask under argon was added 3- (3, 5-dimethoxyphenyl) propanoic acid (13 g, 62 [MMOL)] and polyphosphoric acid (110 g, ) and the mixture was stirred and heated at [70C] for 3 h. The reaction was cooled to rt, diluted with water (1 L), and poured slowly into 2 M sodium hydroxide solution (400 mL). The aqueous layer was extracted with toluene and dried with sodium sulfate. Solvents were evaporated off under vacuum to obtain 5, [7-DIMETHOXY-1-INDANONE] (10.35 g, 54 [MMOL)] in 87 percent [YIELD.APOS;H] NMR [(CDCI3)] [5] 2.6 (t, 2H), 3.0 (t, 2H), 3.8 (s, 3H), 3.9 (s, 3H), 6.3 (m, [1H), ] 6.5 (m, 1H) ; [GC/MS] (ES) 193 [(M+1) +.]

Computed Properties

Molecular Weight:192.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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