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Basic Information
CAS No.: 2107-69-9
Name: 5,6-Dimethoxy-1-indanone
Molecular Structure:
Molecular Structure of 2107-69-9 (5,6-Dimethoxy-1-indanone)
Formula: C11H12O3
Molecular Weight: 192.214
Synonyms: 5,6-Dimethoxyindan-1-one;5,6-dimethoxy-2,3-dihydroinden-1-one;2,3-Dihydro-5,6-dimethoxy-1H-inden-1-one;1H-Inden-1-one,2,3-dihydro-5,6-dimethoxy-;5,6-Dimethoxy Indanone;5,6-dimethoxy-1-indelene-1-one;
EINECS: 218-287-8
Density: 1.179 g/cm3
Melting Point: 118-120 °C
Boiling Point: 339.7 °C at 760 mmHg
Flash Point: 150.4 °C
Appearance: white to light yellow crystal powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 22-24/25-36-26
PSA: 35.53000
LogP: 1.83270
Synthetic route
2107-70-2

3,4-methoxycinnamic acid

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In dichloromethane at 80℃; for 1h; Friedel-Crafts Acylation; High pressure; Inert atmosphere; Green chemistry;100%
With trifluorormethanesulfonic acid In dichloromethane at 0 - 80℃;100%
With trifluorormethanesulfonic acid In dichloromethane at 0 - 80℃; for 1.5h; Sealed tube;96%
52095-39-3

2-ethenyl-4,5-dimethoxybenzaldehyde

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; 6-diphenylphosphinomethyl-3-methyl-2-aminopyridine In toluene at 150℃; for 1h; Inert atmosphere;98%
With acetic acid; L-proline at 120℃; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; Green chemistry;90%
90843-62-2

6-hydroxy-5-methoxyindan-1-one

74-88-4

methyl iodide

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
Stage #1: 6-hydroxy-5-methoxyindan-1-one With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere;
Stage #2: methyl iodide In tetrahydrofuran at 20℃; for 1h;
90.1%
201230-82-2

carbon monoxide

1-iodo-4,5-dimethoxy-2-vinylbenzene

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With pyridine; palladium diacetate; tetrabutyl-ammonium chloride In N,N-dimethyl-formamide at 100℃; under 760 Torr; for 24h;82%
51842-87-6

3-(3,4-dimethoxy-phenyl)-propionyl chloride

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With rhenium(I) pentacarbonyl bromide In 1,2-dichloro-ethane for 2h; Heating;80%
With aluminium trichloride In dichloromethane at 20℃; for 3h;40.2 g
With aluminum (III) chloride In dichloromethane at 20℃; for 2h;

(5,6-dimethoxyindan-1-yl)methanol

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With silica gel; pyridinium chlorochromate In dichloromethane at 25℃; for 6h;72%
64803-82-3

dimethyl 2-((3-(3,4-dimethoxyphenyl)propanoyl)oxy)succinate

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; Friedel-Crafts Acylation; Inert atmosphere; regioselective reaction;70%
5293-43-6

1-bromo-4,5-dimethoxy-2-vinylbenzene

molybdenum hexacarbonyl

molybdenum hexacarbonyl

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With pyridine; tetrabutyl-ammonium chloride; tri tert-butylphosphoniumtetrafluoroborate; palladium diacetate In N,N-dimethyl-formamide at 130℃; for 0.333333h; microwave irradiation;67%
2107-70-2

3,4-methoxycinnamic acid

A

2107-69-9

5,6-dimethoxy-1-indanone

B

57441-74-4

6,7-dimethoxy-2,3-dihydro-1H-inden-1-one

Conditions
ConditionsYield
With terbium(III) trifluoromethanesulfonate In chlorobenzene at 250℃; for 1h; Friedel-Crafts reaction;A 65%
B 5%
154317-78-9

5-(3,4-dimethoxybenzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione

2107-69-9

5,6-dimethoxy-1-indanone

Conditions
ConditionsYield
With scandium tris(trifluoromethanesulfonate) In nitromethane at 100℃; for 0.75h; Friedel-Crafts acylation;59%
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Chemistry

Molecular Structure of 5,6-Dimethoxyindan-1-one (CAS NO. 2107-69-9):

IUPAC Name: 5,6-Dimethoxy-2,3-dihydroinden-1-one 
Molecular Formula: C11H12O3
Molecular Weight: 192.211180 g/mol
Index of Refraction: 1.549
Molar Refractivity: 51.91 cm3
Molar Volume: 163 cm3
Polarizability: 20.58 × 10-24 cm3
Surface Tension: 41.9 dyne/cm
Density: 1.179 g/cm3
Flash Point: 150.4 °C
Enthalpy of Vaporization: 58.32 kJ/mol
Boiling Point: 339.7 °C at 760 mmHg
Vapour Pressure: 9.02E-05 mmHg at 25 °C
Melting Point: 118-120 °C
EINECS: 218-287-8
Product Categories: Indane/Indanone and Derivatives;Indanone & Indene;API intermediates;Aromatics Compounds;Intermediates of Donepezil;Aromatics;C11 to C12;Carbonyl Compounds;Ketones

Safety Profile

Safety Information of 5,6-Dimethoxyindan-1-one (CAS NO. 2107-69-9):
Hazard Codes: Xn,Xi Harmful
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust
S24/25:Avoid contact with skin and eyes
S36:Wear suitable protective clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3

Specification

  5,6-Dimethoxyindan-1-one with cas registry number of 2107-69-9 is white to light yellow crystal powder, also called NSC 401450 ; 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy- .